CAS 1119451-38-5

1-(4,6-Dimethyl-2-benzothiazolyl)-3-piperidinecarboxylic acid

Description:

1-(4,6-Dimethyl-2-benzothiazolyl)-3-piperidinecarboxylic acid is a chemical compound characterized by its unique structure, which includes a benzothiazole moiety and a piperidine ring. The presence of the dimethyl groups on the benzothiazole enhances its lipophilicity, potentially influencing its biological activity and solubility. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry. The carboxylic acid functional group contributes to its acidity and can participate in hydrogen bonding, which may affect its interactions with biological targets. The compound's molecular weight, melting point, and solubility characteristics would be essential for understanding its behavior in different environments. Additionally, its CAS number, 1119451-38-5, serves as a unique identifier for regulatory and safety information. Overall, the structural features of this compound suggest potential applications in drug development, although specific biological activities would require further investigation through experimental studies.

Formula: C₁₅H₁₈N₂O₂S

InChI: InChI=1S/C15H18N2O2S/c1-9-6-10(2)13-12(7-9)20-15(16-13)17-5-3-4-11(8-17)14(18)19/h6-7,11H,3-5,8H2,1-2H3,(H,18,19)

InChI key: InChIKey=JHHXXMVNRCNQFH-UHFFFAOYSA-N

SMILES: CC1=C2C(SC(=N2)N3CC(C(O)=O)CCC3)=CC(C)=C1

Synonyms:

• 3-Piperidinecarboxylic acid, 1-(4,6-dimethyl-2-benzothiazolyl)-
• 1-(4,6-Dimethyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxylic acid
• 1-(4,6-Dimethyl-2-benzothiazolyl)-3-piperidinecarboxylic acid
• 1-(4,6-Dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid