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Flupentixol

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Identification
Molecular formula
C28H31ClF4NO
CAS number
53772-83-1
IUPAC name
1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
State
State

At room temperature, the compound is in a solid state.

Melting point (Celsius)
207.00
Melting point (Kelvin)
480.15
Boiling point (Celsius)
438.70
Boiling point (Kelvin)
711.90
General information
Molecular weight
527.37g/mol
Molar mass
527.3660g/mol
Density
1.3000g/cm3
Appearence

The compound typically appears as a white to off-white crystalline powder. The solid is often fine and may have a slight characteristic odor.

Comment on solubility

Solubility of 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

The solubility of 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol can be characterized as relatively complex due to its unique molecular structure. Understanding its solubility properties is crucial for practical applications and chemical interactions.

Key Considerations for Solubility:

  • Polarity: The presence of multiple functional groups, including hydroxyl and fluorine, indicates a varied polarity which can influence solubility in different solvents.
  • Solvent Type: This compound is likely to exhibit better solubility in organic solvents such as dimethyl sulfoxide (DMSO) or ethyl acetate rather than in water. For instance:
    • Polar solvents may dissolve small amounts, but overall solubility will be limited.
    • Non-polar solvents might show higher compatibility due to the hydrophobic regions in the molecule.
  • Temperature Effects: Increased temperature can generally enhance solubility for many organic compounds due to increased molecular motion, thus improving dissolution rates.
  • Concentration Factors: As with many compounds, solubility can be concentration-dependent, potentially leading to saturation limits under certain conditions.

In summary, while the solubility of this compound is not straightforward, it is clear that the characteristics of its molecular structure and the choice of solvent play significant roles. Further empirical studies would provide valuable insights into specific solubility attributes.

Interesting facts

Interesting Facts about 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

This complex organic compound belongs to a class known as piperidines, which are six-membered ring structures containing one nitrogen atom. Due to its intricate structure, this compound presents several fascinating features that make it noteworthy in the field of chemistry:

  • Molecular Diversity: This compound showcases a remarkable degree of molecular diversity, incorporating multiple functional groups such as fluorophenyl and trifluoromethyl moieties. The presence of these substituents can significantly influence the compound's chemical behavior and interactions.
  • Potential Applications: Compounds like this one are of interest in medicinal chemistry and pharmaceutical development. The unique structure could be optimized for use as a therapeutic agent, particularly due to the presence of various functional groups that can enhance biological activity.
  • Structure-Activity Relationship (SAR): The extensive modifications in the phenyl rings and the piperidine core provide an excellent platform for studying the structure-activity relationship. Understanding how these structural components affect biological properties could lead to new discoveries in drug design.
  • Fluorine Substitution: The incorporation of fluorine atoms is known to improve the metabolic stability of organic compounds. This could potentially lead to a compound that exhibits prolonged activity within biological systems.

In summary, the compound 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol stands out in the realm of synthetic organic chemistry. Its complexity invites further research into its properties and potential applications, which could contribute to advancements in various scientific fields.

Synonyms
PENFLURIDOL
26864-56-2
Semap
Penfluridolum
McN-JR-16,341
R-16341
DTXSID5049021
R 16341
NSC-759179
25TLU22Q8H
MCN-JR-16341
4-Piperidinol, 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)-
R 16,341
DTXCID6028947
R16341
4-Piperidinol, 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-
RefChem:859405
N05AG03
248-074-5
1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol
C28H27ClF5NO
TLP-607
MFCD00866714
1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
Micefal
1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol
4-Piperidinol,1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-
CHEMBL47050
NCGC00165865-01
A1L60
Penfluridolum [INN-Latin]
1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3(trifluoromethyl)phenyl]-4-piperidinol
CAS-26864-56-2
EINECS 248-074-5
BRN 1558826
UNII-25TLU22Q8H
Longoperidol
Penfluridol [USAN:INN:BAN]
1-(4,4-BIS(P-FLUOROPHENYL)BUTYL)-4-(4-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)-4-PIPERIDINOL
1-[4,4-Bis(p-fluorophenyl)butyl]-4-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-4-piperidinol
Semap (TN)
Penfluridol (Standard)
PENFLURIDOL [MI]
PENFLURIDOL [INN]
PENFLURIDOL [JAN]
Penfluridol (USAN/INN)
PENFLURIDOL [USAN]
PENFLURIDOL [MART.]
SCHEMBL93939
PENFLURIDOL [WHO-DD]
1-(4,4-Bis(p-fluorophenyl)butyl)-4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-4-piperidinol
5-21-02-00409 (Beilstein Handbook Reference)
MLS004774011
orb1309759
SCHEMBL30546621
CHEBI:92278
HY-B1077R
GLXC-06132
HMS3264L13
HMS3652G22
HMS5082M20
Pharmakon1600-01505691
BCP03695
HY-B1077
MSK10525
Tox21_113546
BDBM50026066
NSC759179
PDSP1_000470
PDSP2_000468
AKOS005065828
Tox21_113546_1
BCP9000014
CCG-269878
CS-4633
DB13791
FP37146
KS-5104
NSC 759179
Penfluridol, >=97% (HPLC), powder
NCGC00165865-02
NCGC00165865-03
4-Piperidinol, 1-(4,4-bis(p-fluorophenyl)butyl)-4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-
4-Piperidinol, 4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-1-(4,4-bis(p-fluorophenyl)butyl)-
AC-15413
SMR003500704
SY057974
BCP0726000159
SBI-0206898.P001
DB-017683
NS00002358
P2076
S4151
SW219540-1
D02630
AB01566919_01
864P562
A818637
L001145
SR-05000001779
Q2149707
SR-05000001779-1
BRD-K15409150-001-01-7
BRD-K15409150-001-05-8
BRD-K15409150-001-07-4
1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloranyl-3-(trifluoromethyl)phenyl]piperidin-4-ol
1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-piperidin-4-ol
1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-4-(4-chloro-3-trifluoromethyl-phenyl)-piperidin-4-ol
1-[4,4-Bis(p-flurophenyl)butyl]-4-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-4-piperidinol
4-Piperidinol, 4-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-1-(4,4-bis(p-fluorophenyl)butyl)-
PENFLURIDOL1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-4-(4-chloro-3-trifluoromethyl-phenyl)-piperidin-4-ol