CAS 1354953-23-3

1,1-Dimethylethyl 4-(2-methylphenyl)-3-oxo-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 4-(2-methylphenyl)-3-oxo-1-piperidinecarboxylate, identified by its CAS number 1354953-23-3, is a chemical compound that features a piperidine ring, which is a six-membered nitrogen-containing heterocycle. This compound is characterized by the presence of a carboxylate functional group, contributing to its potential reactivity and solubility properties. The presence of a 2-methylphenyl substituent indicates that it has aromatic characteristics, which can influence its electronic properties and interactions with other molecules. The dimethyl groups attached to the carbon backbone suggest steric hindrance, which may affect the compound's conformation and reactivity. This compound may be of interest in medicinal chemistry due to its structural features, which could be relevant for biological activity. However, specific details regarding its physical properties, such as melting point, boiling point, and solubility, would require experimental data or literature references for precise characterization.

Formula: C₁₇H₂₃NO₃

InChI: InChI=1S/C17H23NO3/c1-12-7-5-6-8-13(12)14-9-10-18(11-15(14)19)16(20)21-17(2,3)4/h5-8,14H,9-11H2,1-4H3

InChI key: InChIKey=RBNAHFRUHQYWED-UHFFFAOYSA-N

SMILES: O=C1C(CCN(C(OC(C)(C)C)=O)C1)C2=C(C)C=CC=C2

Synonyms:

• 1-Piperidinecarboxylic acid, 4-(2-methylphenyl)-3-oxo-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-(2-methylphenyl)-3-oxo-1-piperidinecarboxylate