CAS 1131622-40-6

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

Description:

3-[(3-Ethyl-1-piperazinyl)methyl]benzoic acid is a chemical compound characterized by its structure, which includes a benzoic acid moiety substituted with a piperazine derivative. The presence of the piperazine ring, a six-membered heterocyclic compound containing two nitrogen atoms, contributes to its potential biological activity and solubility properties. The ethyl group attached to the piperazine enhances the lipophilicity of the molecule, which may influence its interaction with biological targets. This compound is likely to exhibit acidic properties due to the carboxylic acid functional group, allowing it to participate in various chemical reactions, including esterification and amidation. Additionally, the compound may possess pharmacological properties, making it of interest in medicinal chemistry. Its specific applications and behavior in biological systems would depend on further studies, including its pharmacokinetics and pharmacodynamics. Overall, 3-[(3-Ethyl-1-piperazinyl)methyl]benzoic acid represents a class of compounds that may have significant implications in drug development and therapeutic applications.

Formula: C₁₄H₂₀N₂O₂

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

InChI key: InChIKey=IPOCODHHXHIVBG-UHFFFAOYSA-N

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

Synonyms:

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