4-[(1R,2S)-2-(4-Benzyl-1-Piperidinyl)-1-Hydroxypropyl]Phenol

Molecule SVG Image

Properties Simple | Detailed

Formula C21H27NO2
IUPAC Name 4-[(1r,2s)-2-(4-benzyl-1-piperidyl)-1-hydroxy-propyl]phenol
Molecular Mass 325.445 g·mol−1
Heat of Formation -260.8 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 422.07 Å 3
Surface Area 359.95 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1r,2s)-1-hydroxy-2-[4-(phenylmethyl)-1-piperidinyl]propyl]phenol
  • 4-[(1r,2s)-1-hydroxy-2-[4-(phenylmethyl)-1-piperidyl]propyl]phenol
  • 4-[(1r,2s)-1-hydroxy-2-[4-(phenylmethyl)piperidin-1-yl]propyl]phenol
  • 4-[(1r,2s)-2-[4-(benzyl)-1-piperidyl]-1-hydroxy-propyl]phenol
  • tocris-0545
InChIKey UYNVMODNBIQBMV-KKSFZXQISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N