CAS 1353989-92-0

1,1-Dimethylethyl 4-[[(4-methyl-2-pyridinyl)thio]methyl]-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 4-[[(4-methyl-2-pyridinyl)thio]methyl]-1-piperidinecarboxylate, identified by its CAS number 1353989-92-0, is a chemical compound that features a complex structure incorporating a piperidine ring, a carboxylate group, and a thioether linkage with a pyridine derivative. This compound is characterized by its potential biological activity, often explored in medicinal chemistry for its pharmacological properties. The presence of the dimethyl group contributes to steric hindrance, which can influence the compound's interaction with biological targets. Additionally, the pyridine moiety may enhance lipophilicity, affecting solubility and permeability. The thioether group can also play a role in the compound's reactivity and stability. Overall, this compound exemplifies the intricate design often found in drug development, where specific functional groups are strategically incorporated to optimize efficacy and selectivity in biological systems. Its synthesis and characterization would typically involve standard organic chemistry techniques, including NMR and mass spectrometry for structural confirmation.

Formula: C₁₇H₂₆N₂O₂S

InChI: InChI=1S/C17H26N2O2S/c1-13-5-8-18-15(11-13)22-12-14-6-9-19(10-7-14)16(20)21-17(2,3)4/h5,8,11,14H,6-7,9-10,12H2,1-4H3

InChI key: InChIKey=PHEXRGBGCAXELM-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CCC(CSC2=CC(C)=CC=N2)CC1

Synonyms:

• 1,1-Dimethylethyl 4-[[(4-methyl-2-pyridinyl)thio]methyl]-1-piperidinecarboxylate
• 1-Piperidinecarboxylic acid, 4-[[(4-methyl-2-pyridinyl)thio]methyl]-, 1,1-dimethylethyl ester