CAS 1219832-35-5

1,1-Dimethylethyl 3-cyano-3-fluoro-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 3-cyano-3-fluoro-1-piperidinecarboxylate, identified by its CAS number 1219832-35-5, is a chemical compound characterized by its unique structural features. It contains a piperidine ring, which is a six-membered nitrogen-containing heterocycle, and is substituted with a cyano group (–C≡N) and a fluoro group (–F) at the 3-position. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its steric bulk, which can influence its reactivity and interaction with biological targets. This compound is likely to exhibit moderate polarity due to the presence of both polar (cyano and carboxylate) and nonpolar (tert-butyl) functional groups. Its potential applications may include use in medicinal chemistry, particularly in the development of pharmaceuticals, given the piperidine moiety's prevalence in drug design. Additionally, the presence of the cyano and fluoro groups may impart specific electronic properties, making it a candidate for further investigation in various chemical reactions or biological activities.

Formula: C₁₁H₁₇FN₂O₂

InChI: InChI=1S/C11H17FN2O2/c1-10(2,3)16-9(15)14-6-4-5-11(12,7-13)8-14/h4-6,8H2,1-3H3

InChI key: InChIKey=MJBOBUBUUWDLTB-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CC(C#N)(F)CCC1

Synonyms:

• 1-Piperidinecarboxylic acid, 3-cyano-3-fluoro-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 3-cyano-3-fluoro-1-piperidinecarboxylate