4-[(1R,2S)-3-(4-Benzyl-1-Piperidinyl)-1-Hydroxy-2-Methylpropyl]Phenol

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Properties Simple | Detailed

Formula C22H29NO2
IUPAC Name 4-[(1r,2s)-3-(4-benzyl-1-piperidyl)-1-hydroxy-2-methyl-propyl]phenol
Molecular Mass 339.471 g·mol−1
Heat of Formation -285.0 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 445.59 Å 3
Surface Area 367.68 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1r,2s)-1-hydroxy-2-methyl-3-[4-(phenylmethyl)-1-piperidinyl]propyl]phenol
  • 4-[(1r,2s)-1-hydroxy-2-methyl-3-[4-(phenylmethyl)-1-piperidyl]propyl]phenol
  • 4-[(1r,2s)-1-hydroxy-2-methyl-3-[4-(phenylmethyl)piperidin-1-yl]propyl]phenol
  • 4-[(1r,2s)-3-[4-(benzyl)-1-piperidyl]-1-hydroxy-2-methyl-propyl]phenol
  • pdsp2_000361
  • tocris-1594
InChIKey WVZSEUPGUDIELE-HTAPYJJXSA-N
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