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CAS 2227206-57-5

:

1-(1,1-Dimethylethyl) 3-methyl 5-(trifluoromethyl)-1,3-piperidinedicarboxylate

Description:
1-(1,1-Dimethylethyl) 3-methyl 5-(trifluoromethyl)-1,3-piperidinedicarboxylate is a chemical compound characterized by its piperidine structure, which includes two carboxylate functional groups. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. The tert-butyl group (1,1-dimethylethyl) contributes to steric hindrance, potentially affecting the compound's reactivity and interaction with biological targets. This compound is likely to be a solid or liquid at room temperature, depending on its specific molecular interactions. Its unique combination of functional groups suggests potential applications in pharmaceuticals, particularly in the development of compounds with specific receptor interactions or enzyme inhibition properties. As with many fluorinated compounds, it may exhibit distinct physical and chemical properties, such as increased stability and altered solubility compared to non-fluorinated analogs. Safety and handling precautions should be observed due to the presence of fluorine, which can impart toxicity in certain contexts.
Formula:C13H20F3NO4
InChI:InChI=1S/C13H20F3NO4/c1-12(2,3)21-11(19)17-6-8(10(18)20-4)5-9(7-17)13(14,15)16/h8-9H,5-7H2,1-4H3
InChI key:InChIKey=NONJHXVASFECAD-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC(C(OC)=O)CC(C(F)(F)F)C1
Synonyms:
  • 1,3-Piperidinedicarboxylic acid, 5-(trifluoromethyl)-, 1-(1,1-dimethylethyl) 3-methyl ester
  • 1-(1,1-Dimethylethyl) 3-methyl 5-(trifluoromethyl)-1,3-piperidinedicarboxylate
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