CAS 1131623-04-5

3-[(2-Methyl-1-piperazinyl)methyl]benzoic acid

Description:

3-[(2-Methyl-1-piperazinyl)methyl]benzoic acid is a chemical compound characterized by its structure, which includes a benzoic acid moiety substituted with a piperazine group. The presence of the piperazine ring, which is a six-membered heterocyclic compound containing two nitrogen atoms, contributes to its potential biological activity and solubility properties. This compound is typically a white to off-white solid and is soluble in polar solvents, which may enhance its utility in pharmaceutical applications. The carboxylic acid functional group in benzoic acid provides acidic properties, allowing for potential interactions with biological targets. Its molecular structure suggests that it may exhibit properties such as moderate lipophilicity and the ability to form hydrogen bonds, which are important for drug-receptor interactions. Additionally, the presence of the methyl group on the piperazine ring may influence its pharmacokinetic profile. Overall, this compound's unique structural features make it a subject of interest in medicinal chemistry and drug development.

Formula: C₁₃H₁₈N₂O₂

InChI: InChI=1S/C13H18N2O2/c1-10-8-14-5-6-15(10)9-11-3-2-4-12(7-11)13(16)17/h2-4,7,10,14H,5-6,8-9H2,1H3,(H,16,17)

InChI key: InChIKey=WHIZRFMMVFKEPH-UHFFFAOYSA-N

SMILES: C(C1=CC(C(O)=O)=CC=C1)N2C(C)CNCC2

Synonyms:

• Benzoic acid, 3-[(2-methyl-1-piperazinyl)methyl]-
• 3-[(2-Methyl-1-piperazinyl)methyl]benzoic acid