CAS 871112-38-8

1,1-Dimethylethyl 4-(4-cyanophenyl)-4-hydroxy-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 4-(4-cyanophenyl)-4-hydroxy-1-piperidinecarboxylate, identified by its CAS number 871112-38-8, 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 tert-butyl group (1,1-dimethylethyl) and a cyanophenyl moiety, contributing to its unique chemical properties. The hydroxyl group (-OH) attached to the piperidine ring indicates that it may exhibit hydrogen bonding capabilities, influencing its solubility and reactivity. The presence of the cyano group (-C≡N) suggests potential for nucleophilic reactions, while the ester functional group (carboxylate) may participate in various chemical transformations. Overall, this compound may exhibit biological activity, making it of interest in pharmaceutical research, particularly in the development of new therapeutic agents. Its specific characteristics, such as melting point, boiling point, and solubility, would require empirical measurement or literature reference for precise values.

Formula: C₁₇H₂₂N₂O₃

InChI: InChI=1S/C17H22N2O3/c1-16(2,3)22-15(20)19-10-8-17(21,9-11-19)14-6-4-13(12-18)5-7-14/h4-7,21H,8-11H2,1-3H3

InChI key: InChIKey=LWZHDEZITOLTMP-UHFFFAOYSA-N

SMILES: OC1(C2=CC=C(C#N)C=C2)CCN(C(OC(C)(C)C)=O)CC1

Synonyms:

• 1-Piperidinecarboxylic acid, 4-(4-cyanophenyl)-4-hydroxy-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-(4-cyanophenyl)-4-hydroxy-1-piperidinecarboxylate
• tert-Butyl 4-(4-cyanophenyl)-4-hydroxypiperidine-1-carboxylate