HCID67372196

methyl (2R,6S)-6-(3,4,5-trifluorophenyl)piperidine-2-carboxylate

C13H14F3NO2273.25 g/molCAS 937399-85-4

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IDENTITY

结构与身份

标准SMILES: COC(=O)[C@H]1CCC[C@@H](c2cc(F)c(F)c(F)c2)N1
InChIKey: FOXVGDNFCLYBST-WDEREUQCSA-N
分子式: C13H14F3NO2
平均分子量: 273.25 g/mol
单同位素质量: 273.09766318

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 38.3 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 3
重原子: 19
形式电荷: 0
复杂度: 317

ALIASES

名称与别名

共 8 条

methyl (2R,6S)-6-(3,4,5-trifluorophenyl)piperidine-2-carboxylateSCHEMBL2345543FOXVGDNFCLYBST-WDEREUQCSA-NDTXSID001171399Methyl (2R,6S)-6-(3,4,5-trifluorophenyl)-2-piperidinecarboxylatemethyl(2R,6S)-6-(3,4,5-trifluorophenyl)piperidine-2-carboxylate(2R,6S)-6-(3,4,5-trifluorophenyl)piperidine-2-carboxylic acid methyl ester937399-85-4

REACTIONS