CAS 1131622-41-7

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

Description:

2-[(3-Ethyl-1-piperazinyl)methyl]benzoic acid is a chemical compound characterized by its structure, which includes a benzoic acid moiety and a piperazine ring substituted with an ethyl group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential solubility in various organic solvents. The presence of the carboxylic acid functional group suggests it can participate in acid-base reactions, making it a weak acid. The piperazine ring may impart basic characteristics, allowing for interactions with biological targets, which is of interest in medicinal chemistry. Additionally, the ethyl substitution on the piperazine can influence the compound's lipophilicity and overall pharmacokinetic properties. This compound may also exhibit biological activity, potentially serving as a lead compound in drug development. Its specific applications and interactions would depend on further studies, including its synthesis, stability, and reactivity under various conditions. Overall, 2-[(3-Ethyl-1-piperazinyl)methyl]benzoic acid represents a versatile structure with potential implications in pharmaceutical research.

Formula: C₁₄H₂₀N₂O₂

InChI: InChI=1S/C14H20N2O2/c1-2-12-10-16(8-7-15-12)9-11-5-3-4-6-13(11)14(17)18/h3-6,12,15H,2,7-10H2,1H3,(H,17,18)

InChI key: InChIKey=RGZCTVARQBKYNE-UHFFFAOYSA-N

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

Synonyms:

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