CAS 1131622-39-3

4-[(3-Ethyl-1-piperazinyl)methyl]benzoic acid

Description:

4-[(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, which is a six-membered cyclic amine, contributes to its potential biological activity, making it of interest in medicinal chemistry. The ethyl group attached to the piperazine enhances its lipophilicity, potentially influencing its pharmacokinetic properties. This compound is likely to exhibit both acidic and basic characteristics due to the carboxylic acid group and the piperazine nitrogen atoms, respectively. Its solubility profile may vary depending on the pH of the environment, with the carboxylic acid being more soluble in basic conditions. Additionally, the compound may participate in hydrogen bonding due to the presence of the carboxylic acid and the nitrogen atoms in the piperazine, which can affect its interactions with biological targets. Overall, this compound's unique structural features suggest potential applications in pharmaceuticals, particularly in the development of therapeutic agents.

Formula: C₁₄H₂₀N₂O₂

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

InChI key: InChIKey=OOFKESLHVWTRGE-UHFFFAOYSA-N

SMILES: C(N1CC(CC)NCC1)C2=CC=C(C(O)=O)C=C2

Synonyms:

• Benzoic acid, 4-[(3-ethyl-1-piperazinyl)methyl]-
• 4-[(3-Ethyl-1-piperazinyl)methyl]benzoic acid