2-{(2S,6S)-6-[(2S)-2-Hydroxy-2-Phenylethyl]-1-Methyl-2-Piperidinyl}-1-Phenylethanone

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Properties Simple | Detailed

Formula C22H27NO2
IUPAC Name 2-[(1r,2s,6s)-6-[(2s)-2-hydroxy-2-phenyl-ethyl]-1-methyl-2-piperidyl]-1-phenyl-ethanone
Molecular Mass 337.455 g·mol−1
Heat of Formation -237.8 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 436.17 Å 3
Surface Area 338.2 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2s,6s)-6-[(2s)-2-hydroxy-2-phenyl-ethyl]-1-methyl-2-piperidyl]-1-phenyl-ethanone
  • 2-[(2s,6s)-6-[(2s)-2-hydroxy-2-phenyl-ethyl]-1-methyl-piperidin-2-yl]-1-phenyl-ethanone
  • 2-[(2s,6s)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl]-1-phenylethanone
  • 2-[(2s,6s)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
  • tocris-1077
InChIKey MXYUKLILVYORSK-ACRUOGEOSA-N
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