CAS 886501-34-4

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

Description:

4-Methyl-3-(1-piperidinyl)benzoic acid, with the CAS number 886501-34-4, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with a methyl group and a piperidine ring. This compound typically exhibits properties associated with both aromatic and aliphatic systems, such as moderate solubility in organic solvents and potential hydrogen bonding due to the carboxylic acid functional group. The presence of the piperidine ring may contribute to its basicity and influence its interaction with biological targets, making it of interest in medicinal chemistry. The compound's molecular structure suggests it may participate in various chemical reactions, including esterification and amidation, and it may also exhibit specific pharmacological activities, depending on its application. Overall, 4-Methyl-3-(1-piperidinyl)benzoic acid is a versatile compound with potential uses in drug development and synthesis.

Formula: C₁₃H₁₇NO₂

InChI: InChI=1S/C13H17NO2/c1-10-5-6-11(13(15)16)9-12(10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)

InChI key: InChIKey=RPSIVZIUDOKBNU-UHFFFAOYSA-N

SMILES: CC=1C(=CC(C(O)=O)=CC1)N2CCCCC2

Synonyms:

• 4-Methyl-3-(1-piperidinyl)benzoic acid
• Benzoic acid, 4-methyl-3-(1-piperidinyl)-
• 4-Methyl-3-(piperidin-1-yl)benzoic acid