CAS 1131623-00-1

4-(2-Methyl-1-piperazinyl)benzoic acid

Description:

4-(2-Methyl-1-piperazinyl)benzoic acid is an organic compound characterized by its piperazine moiety, which contributes to its biological activity and solubility properties. This compound features a benzoic acid structure, indicating the presence of a carboxylic acid functional group that imparts acidic characteristics. The piperazine ring, substituted with a methyl group, enhances its potential for interaction with biological targets, making it of interest in medicinal chemistry. The molecular structure suggests that it may exhibit properties such as moderate polarity, which can influence its solubility in various solvents, and it may participate in hydrogen bonding due to the presence of both the carboxylic acid and the nitrogen atoms in the piperazine ring. Additionally, the compound may possess pharmacological properties, making it relevant in drug development and research. Its specific applications and effects would depend on further studies, including its interaction with biological systems and potential therapeutic uses.

Formula: C₁₂H₁₆N₂O₂

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

InChI key: InChIKey=XLMMHXGFJVDFHC-UHFFFAOYSA-N

SMILES: CC1N(C2=CC=C(C(O)=O)C=C2)CCNC1

Synonyms:

• 4-(2-Methyl-1-piperazinyl)benzoic acid
• Benzoic acid, 4-(2-methyl-1-piperazinyl)-