(3S)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]nipecotate Formula: C12H13F3N3O2- MolecularWeight: 288.24573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC[C@@H](C2)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H14F3N3O2/c1-7-5-9(12(13,14)15)17-11(16-7)18-4-2-3-8(6-18)10(19)20/h5,8H,2-4,6H2,1H3,(H,19,20)/p-1/t8-/m0/s1