CAS 1131623-08-9

2-(3-Methyl-1-piperazinyl)benzoic acid

Description:

2-(3-Methyl-1-piperazinyl)benzoic acid is a chemical compound characterized by its structure, which includes a benzoic acid moiety substituted with a 3-methyl-1-piperazinyl group. This compound typically exhibits properties associated with both aromatic and amine functionalities, contributing to its potential as a bioactive molecule. The presence of the piperazine ring suggests it may exhibit basic properties, allowing it to form salts with acids. The benzoic acid component provides acidity, which can influence its solubility and reactivity in various solvents. This compound may be of interest in medicinal chemistry due to its potential pharmacological activities, including effects on the central nervous system or as a building block for drug development. Its molecular interactions can be influenced by the steric and electronic effects of the substituents, making it a candidate for further research in drug design and synthesis. As with many organic compounds, safety and handling precautions should be observed, particularly in laboratory settings.

Formula: C₁₂H₁₆N₂O₂

InChI: InChI=1S/C12H16N2O2/c1-9-8-14(7-6-13-9)11-5-3-2-4-10(11)12(15)16/h2-5,9,13H,6-8H2,1H3,(H,15,16)

InChI key: InChIKey=SQTRQLXCTGBLHU-UHFFFAOYSA-N

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

Synonyms:

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