CAS 1268520-30-4

1,1-Dimethylethyl 4-(2-fluoro-3-hydroxypropyl)-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 4-(2-fluoro-3-hydroxypropyl)-1-piperidinecarboxylate, identified by its CAS number 1268520-30-4, 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 2-fluoro-3-hydroxypropyl substituent, contributing to its unique chemical properties. The fluorine atom in the structure may enhance lipophilicity and influence biological activity, while the hydroxy group can participate in hydrogen bonding, affecting solubility and reactivity. The carboxylate functional group indicates that this compound may exhibit acidic properties, which can be relevant in various chemical reactions or biological interactions. Overall, the combination of these functional groups suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, where such modifications can influence pharmacokinetics and pharmacodynamics. Further studies would be necessary to fully elucidate its properties and potential uses.

Formula: C₁₃H₂₄FNO₃

InChI: InChI=1S/C13H24FNO3/c1-13(2,3)18-12(17)15-6-4-10(5-7-15)8-11(14)9-16/h10-11,16H,4-9H2,1-3H3

InChI key: InChIKey=ZEOGHYYVHWKDGB-UHFFFAOYSA-N

SMILES: C(C(CO)F)C1CCN(C(OC(C)(C)C)=O)CC1

Synonyms:

• 1-Piperidinecarboxylic acid, 4-(2-fluoro-3-hydroxypropyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-(2-fluoro-3-hydroxypropyl)-1-piperidinecarboxylate