CAS 1131622-38-2

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

Description:

2-(3-Ethyl-1-piperazinyl)benzoic acid is an organic compound characterized by its piperazine moiety and a benzoic acid functional group. This compound features a piperazine ring, which is a six-membered cyclic amine, substituted with an ethyl group at the 3-position, enhancing its lipophilicity and potential biological activity. The benzoic acid portion contributes to its acidity and can participate in hydrogen bonding, influencing its solubility and reactivity. Typically, compounds like this may exhibit pharmacological properties, making them of interest in medicinal chemistry. The presence of both the piperazine and carboxylic acid functionalities suggests potential interactions with biological targets, such as receptors or enzymes. Additionally, the compound's structure may allow for various synthetic modifications, which can be explored for developing derivatives with improved efficacy or selectivity. Overall, 2-(3-Ethyl-1-piperazinyl)benzoic acid represents a class of compounds that may have significant applications in drug discovery and development.

Formula: C₁₃H₁₈N₂O₂

InChI: InChI=1S/C13H18N2O2/c1-2-10-9-15(8-7-14-10)12-6-4-3-5-11(12)13(16)17/h3-6,10,14H,2,7-9H2,1H3,(H,16,17)

InChI key: InChIKey=WKWLBSGBDPDBNB-UHFFFAOYSA-N

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

Synonyms:

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