CAS 890091-66-4

2-(4-Methyl-1-piperidinyl)-3-nitrobenzoic acid

Description:

2-(4-Methyl-1-piperidinyl)-3-nitrobenzoic acid, identified by its CAS number 890091-66-4, is a chemical compound characterized by its unique structure that includes a benzoic acid moiety substituted with a nitro group and a piperidine ring. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in polar organic solvents due to the presence of both the carboxylic acid and nitro functional groups. The piperidine ring contributes to its basicity and may influence its biological activity, making it of interest in medicinal chemistry. The nitro group can enhance the compound's reactivity and may play a role in its pharmacological properties. Additionally, the presence of the methyl group on the piperidine ring can affect the steric and electronic properties of the molecule, potentially influencing its interactions with biological targets. Overall, this compound's characteristics make it a subject of interest for further research in various chemical and pharmaceutical applications.

Formula: C₁₃H₁₆N₂O₄

InChI: InChI=1S/C13H16N2O4/c1-9-5-7-14(8-6-9)12-10(13(16)17)3-2-4-11(12)15(18)19/h2-4,9H,5-8H2,1H3,(H,16,17)

InChI key: InChIKey=FEHIBIZBCHAJQF-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C(N(=O)=O)=CC=C1)N2CCC(C)CC2

Synonyms:

• 2-(4-Methyl-1-piperidinyl)-3-nitrobenzoic acid
• Benzoic acid, 2-(4-methyl-1-piperidinyl)-3-nitro-