CAS 914637-71-1

1-[4-Fluoro-2-(methylsulfonyl)phenyl]-3-piperidinecarboxylic acid

Description:

1-[4-Fluoro-2-(methylsulfonyl)phenyl]-3-piperidinecarboxylic acid is a chemical compound characterized by its unique structure, which includes a piperidine ring and a phenyl group substituted with a fluorine atom and a methylsulfonyl group. This compound is typically classified as an aromatic carboxylic acid due to the presence of the carboxylic acid functional group (-COOH). The fluorine substitution on the phenyl ring can influence the compound's reactivity and biological activity, often enhancing lipophilicity and altering pharmacokinetic properties. The methylsulfonyl group contributes to the compound's solubility and may play a role in its interaction with biological targets. This compound is of interest in medicinal chemistry and drug development, particularly for its potential therapeutic applications. Its specific properties, such as melting point, solubility, and stability, would depend on the molecular interactions and the environment in which it is studied. As with many chemical substances, safety data and handling precautions are essential for laboratory work involving this compound.

Formula: C₁₃H₁₆FNO₄S

InChI: InChI=1S/C13H16FNO4S/c1-20(18,19)12-7-10(14)4-5-11(12)15-6-2-3-9(8-15)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)

InChI key: InChIKey=AAYAFMIVXVHLIJ-UHFFFAOYSA-N

SMILES: S(C)(=O)(=O)C1=C(C=CC(F)=C1)N2CC(C(O)=O)CCC2

Synonyms:

• 1-[4-Fluoro-2-(methylsulfonyl)phenyl]-3-piperidinecarboxylic acid
• 3-Piperidinecarboxylic acid, 1-[4-fluoro-2-(methylsulfonyl)phenyl]-