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MDBP (Methylone)

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Identification
Molecular formula
C20H23ClN2O3
CAS number
802286-83-5
IUPAC name
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
State
State

At room temperature, this compound is generally in a solid state, typically a crystalline powder that is stable under normal conditions.

Melting point (Celsius)
147.50
Melting point (Kelvin)
420.65
Boiling point (Celsius)
309.80
Boiling point (Kelvin)
582.95
General information
Molecular weight
345.87g/mol
Molar mass
345.8250g/mol
Density
1.2315g/cm3
Appearence

The compound typically appears as white or off-white crystalline powder. It may also occur as a white solid with a crystalline or amorphous consistency, and in some cases, it may appear as small crystals or a powder with slight color variations depending on purity and preparation methods.

Comment on solubility

Solubility of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone

The solubility of the compound with the formula C20H23ClN2O3 can be assessed based on its structure and molecular properties. Understanding solubility is crucial as it influences the compound's bioavailability and applicability in various fields.

Solubility Characteristics

  • Polarity: The presence of various functional groups such as the chlorophenoxy and piperazine suggests that this compound may possess moderate polarity.
  • Solvents: As a general trend, compounds with similar polarities tend to be soluble in similar solvents. This compound may be expected to dissolve well in:
    • Organic solvents like methanol or ethanol
    • Aqueous solutions may present limited solubility due to its structural characteristics.
  • pH Dependency: The solubility may vary with pH, especially if functional groups can ionize and affect solvation.

According to general solubility principles, the intricate balance of hydrophobic and hydrophilic portions significantly influences the overall solubility profile. It is essential to note that empirical testing should be conducted to confirm the theoretical predictions.

Conclusion

While predictive models can provide insights, laboratory determination remains the most reliable method for establishing solubility for practical applications. Understanding the solubility of C20H23ClN2O3 enables researchers to better explore its potential uses in pharmaceuticals and other sectors.

Interesting facts

Interesting Facts About 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone

This unique compound belongs to a class of chemicals that showcases the fascinating interplay between organic chemistry and medicinal applications. Here are some noteworthy aspects:

  • Complex Structure: The structure of this compound includes a piperazine ring, which is often found in many pharmaceuticals due to its ability to interact with biological targets.
  • Pharmacological Potential: Compounds like this one are studied for their potential therapeutic effects, particularly in the field of neuroscience and psychiatry. They may exhibit properties that can influence neurotransmitter pathways.
  • Novel Combinations: This compound combines a benzodioxole moiety with a piperazine group, which can lead to unique pharmacodynamic and pharmacokinetic profiles. Such combinations are valuable in drug design.
  • Synthetic Routes: The synthesis of this compound can provide insight into various organic reactions, showcasing the versatility and ingenuity required in modern organic synthesis.
  • Research Implications: Ongoing research may reveal further therapeutic potentials and biochemical mechanisms, contributing to advancements in drug development.

As a scientist or chemistry student, exploring the implications of such compounds can lead to greater understanding and potentially transformative discoveries in pharmacology and medicinal chemistry. The integration of complex heterocycles with functional groups often leads to unexpected results, presenting a captivating challenge and opportunity for further exploration.

Synonyms
fipexide
34161-24-5
Fipexidum
Fipexipa
1-(2-[4-Chlorophenoxy]acetyl)-4-(3,4-methylenedioxybenzyl)piperazine
fipexida
Fipexide [INN:DCF]
Fipexidum [INN-Latin]
Fipexipa [INN-Spanish]
UNII-TG44VME01D
TG44VME01D
Fipexide (INN)
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
FIPEXIDE [INN]
FIPEXIDE [MI]
EINECS 251-857-4
FIPEXIDE [WHO-DD]
NSC-758407
DTXSID5044657
1-((p-Chlorophenoxy)acetyl)-4-piperonylpiperazine
NSC 758407
Fipexidum (INN-Latin)
Fipexipa (INN-Spanish)
SMR000620249
CAS-34161-23-4
1-(4-((2H-1,3-benzodioxol-5-yl)methyl)piperazin-1-yl)-2-(4-chlorophenoxy)ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(4-chlorophenoxy)ethan-1-one
Fipexide (Standard)
Spectrum_001567
Prestwick0_000298
Prestwick1_000298
Prestwick2_000298
Prestwick3_000298
Spectrum2_001538
Spectrum3_001572
Spectrum4_000170
Spectrum5_001245
BSPBio_000236
BSPBio_003104
KBioGR_000659
KBioSS_002047
MLS000766818
MLS000948081
MLS001032068
DivK1c_000747
SCHEMBL532910
SPBio_001356
SPBio_002455
BPBio1_000260
CHEMBL254857
DTXCID3024657
CHEBI:94598
HY-B1124R
KBio1_000747
KBio2_002047
KBio2_004615
KBio2_007183
KBio3_002604
N06BX05
BFUJHVVEMMWLHC-UHFFFAOYSA-N
NINDS_000747
HMS2895M24
HY-B1124
STK062743
AKOS001654525
CS-4721
DB13790
1-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-chlorophenoxy)ethanone
IDI1_000747
NCGC00016825-01
NCGC00016825-02
NCGC00016825-03
NCGC00016825-04
DA-63449
MS-26457
SBI-0051792.P002
AB00053653
EU-0015154
NS00001766
VU0067051-3
D07345
F85242
AB00053653_13
EN300-7494159
Q3745928
BRD-K37688416-003-05-7
BRD-K37688416-003-08-1
BRD-K37688416-003-13-1
Z30923814
1-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-(4-chlorophenoxy)ethanone
1-[4-(1,3-BENZODIOXOL-5-YLMETHYL)PIPERAZINO]-2-(4-CHLOROPHENOXY)-1-ETHANONE
1-{4-[(1,3-dioxaindan-5-yl)methyl]piperazin-1-yl}-2-(4-chlorophenoxy)ethan-1-one
251-857-4