CAS 950648-96-1

1,1-Dimethylethyl 4-[(5-fluoro-2-pyrimidinyl)oxy]-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 4-[(5-fluoro-2-pyrimidinyl)oxy]-1-piperidinecarboxylate, identified by its CAS number 950648-96-1, is a chemical compound characterized by its complex structure, which includes a piperidine ring and a pyrimidine moiety. This compound features a tert-butyl group, which contributes to its steric bulk and may influence its biological activity and solubility. The presence of a fluorine atom in the pyrimidine ring can enhance the compound's lipophilicity and potentially its pharmacological properties. The ester functional group in the carboxylate portion suggests that it may undergo hydrolysis under certain conditions, leading to the release of the corresponding acid and alcohol. This compound is likely to exhibit specific interactions with biological targets, making it of interest in medicinal chemistry and drug development. Its unique structural features may also impart distinct physical and chemical properties, such as melting point, boiling point, and solubility, which are critical for its application in various fields, including pharmaceuticals and agrochemicals.

Formula: C₁₄H₂₀FN₃O₃

InChI: InChI=1S/C14H20FN3O3/c1-14(2,3)21-13(19)18-6-4-11(5-7-18)20-12-16-8-10(15)9-17-12/h8-9,11H,4-7H2,1-3H3

InChI key: InChIKey=SKHBFPKWJIOHPZ-UHFFFAOYSA-N

SMILES: O(C1CCN(C(OC(C)(C)C)=O)CC1)C=2N=CC(F)=CN2

Synonyms:

• 1-Piperidinecarboxylic acid, 4-[(5-fluoro-2-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-[(5-fluoro-2-pyrimidinyl)oxy]-1-piperidinecarboxylate