CAS 1131623-06-7

4-(3-Methyl-1-piperazinyl)benzoic acid

Description:

4-(3-Methyl-1-piperazinyl)benzoic acid is an organic compound characterized by its piperazine moiety and a benzoic acid functional group. This substance features a piperazine ring, which is a six-membered cyclic amine, substituted with a methyl group at the 3-position, enhancing its basicity and potential for forming hydrogen bonds. The benzoic acid component contributes to its acidity and can participate in various chemical reactions, including esterification and amidation. The compound is typically a white to off-white solid and is soluble in polar solvents, reflecting its polar functional groups. Its structure suggests potential applications in pharmaceuticals, particularly in the development of drug candidates due to its ability to interact with biological targets. Additionally, the presence of both basic and acidic functional groups may allow for the formation of salts, which can influence its pharmacokinetic properties. Overall, 4-(3-Methyl-1-piperazinyl)benzoic acid is a versatile compound with significant implications in medicinal chemistry and related fields.

Formula: C₁₂H₁₆N₂O₂

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

InChI key: InChIKey=PKNBKHTYYDFSER-UHFFFAOYSA-N

SMILES: CC1CN(C2=CC=C(C(O)=O)C=C2)CCN1

Synonyms:

• Benzoic acid, 4-(3-methyl-1-piperazinyl)-
• 4-(3-Methyl-1-piperazinyl)benzoic acid