CAS 1131623-10-3

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

Description:

3-[(3-Methyl-1-piperazinyl)methyl]benzoic acid is an organic compound characterized by its structure, which includes a benzoic acid moiety and a piperazine ring substituted with a methyl group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential biological activity. The presence of the carboxylic acid functional group suggests it can participate in hydrogen bonding, influencing its solubility and reactivity. The piperazine ring may impart basic characteristics, allowing for interactions with various biological targets, making it of interest in medicinal chemistry. Additionally, the methyl substitution on the piperazine can affect the compound's steric and electronic properties, potentially enhancing its pharmacological profile. Overall, this compound may exhibit a range of properties, including moderate to high solubility in polar solvents, and could be explored for applications in drug development or as a biochemical probe. However, specific physical and chemical properties such as melting point, boiling point, and spectral data would require empirical measurement or literature reference for precise characterization.

Formula: C₁₃H₁₈N₂O₂

InChI: InChI=1S/C13H18N2O2/c1-10-8-15(6-5-14-10)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=XIDNHFZQVOXIDJ-UHFFFAOYSA-N

SMILES: C(C1=CC(C(O)=O)=CC=C1)N2CC(C)NCC2

Synonyms:

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