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Cetirizine

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Identification
Molecular formula
C21H25ClN2O3
CAS number
83881-52-1
IUPAC name
1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol
State
State

At room temperature, cetirizine is typically found in a solid state, often formulated as part of tablets or capsules for oral administration.

Melting point (Celsius)
109.00
Melting point (Kelvin)
382.15
Boiling point (Celsius)
500.00
Boiling point (Kelvin)
773.15
General information
Molecular weight
388.89g/mol
Molar mass
388.8880g/mol
Density
1.0630g/cm3
Appearence

Cetirizine appears as a white to off-white crystalline powder. It is often odorless and has a bitter taste. The compound is marketed in tablet forms or liquid solutions for medicinal uses.

Comment on solubility

Solubility of 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol

The solubility of 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol can be influenced by several factors due to its complex structure. This compound includes both hydrophobic and hydrophilic components, which suggests a unique solubility profile.

Factors Affecting Solubility:

  • Polarity: The presence of the piperazine moiety may increase the polarity of the compound, allowing it to dissolve better in polar solvents.
  • Hydrophobic Interactions: The cyclohexyl and phenyl groups can promote hydrophobic interactions, influencing solubility in non-polar solvents.
  • Hydrogen Bonding: The hydroxyl (–OH) group may engage in hydrogen bonding, enhancing solubility in aqueous environments.

It is often observed that compounds with both hydrophilic and hydrophobic regions:

  • Exhibit amphiphilic properties, leading to variable solubility.
  • May dissolve differently depending on the solvent used.

As a result, while this compound may dissolve well in some polar organic solvents and water due to the hydroxyl group, its solubility in non-polar solvents could be considerable due to the cyclohexyl and phenyl groups. In practical applications, performing solubility tests in different media is essential to understand the full solubility profile of 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol.

Interesting facts

Interesting Facts About 1-Cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol

The compound 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol is a fascinating example of organic chemistry due to its structural complexity and potential applications. Here are some notable facts:

  • Pharmacological Potential: This compound has garnered interest in medicinal chemistry due to its structural similarity to pharmacologically active agents. The presence of the piperazine ring is particularly significant as many drugs utilize this motif for their biological activity.
  • Versatile Framework: The combination of cyclohexyl, phenyl, and piperazine groups creates a versatile molecular framework that may facilitate interactions with various biological targets.
  • Ionization Properties: The presence of a quaternary ammonium moiety in the structure implies that the compound can exist in multiple ionization states, enhancing its solubility profile and biological activity.
  • Research Applications: Compounds of this nature are often explored for their effectiveness as drug carriers or for use in formulations designed to improve drug delivery systems.
  • Synthesis Challenges: The synthesis of such structural variants poses intriguing challenges that encourage innovative synthetic strategies in modern organic chemistry.
  • Impact on CNS: Given its structural characteristics, it may have interactions with the central nervous system (CNS), leading to potential anxiolytic or psychoactive effects, which warrants further investigation.

In conclusion, 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol stands as an interesting compound that bridges the realms of synthetic chemistry and pharmacology. Its unique structure and potential applications make it a subject worth exploring in further detail.

Synonyms
HEXOCYCLIUM
6004-98-4
Hexocyclum
Hexocyclium ion
Hexocyclium cation
hexociclium
1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol
UNII-LL3147PI1T
LL3147PI1T
HEXOCYCLIUM [WHO-DD]
Hexocyclium (VAN)
Piperazinium, 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethyl-
4-(2-Cyclohexyl-2-hydroxy-2-phenethyl)-1,1-dimethylpiperazinium
1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanol
4-(.BETA.-CYCLOHEXYL-.BETA.-HYDROXYPHENETHYL)-1,1-DIMETHYLPIPERAZINUM
DTXCID303123
Piperazinium, 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethyl-, sulfate
4-(BETA-CYCLOHEXYL-BETA-HYDROXYPHENETHYL)-1,1-DIMETHYLPIPERAZINUM
Piperazinium, 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethyl-(9CI)
CHEBI:5707
CHEMBL1201325
AC1L2NA2
SureCN934371
GTPL323
SCHEMBL934371
BDBM81959
DTXSID80859210
DB06787
CAS_115-63-9
NS00005710
C07811
L023949
Q5749037