3-{(3S,4S)-1-[(3R)-3-Cyclohexyl-3-Hydroxypropyl]-3,4-Dimethyl-4-Piperidinyl}Phenol

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Properties Simple | Detailed

Formula C22H35NO2
IUPAC Name 3-[(3s,4s)-1-[(3r)-3-cyclohexyl-3-hydroxy-propyl]-3,4-dimethyl-4-piperidyl]phenol
Molecular Mass 345.519 g·mol−1
Heat of Formation -477.9 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 460.32 Å 3
Surface Area 386.98 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(3s,4s)-1-[(3r)-3-cyclohexyl-3-hydroxy-propyl]-3,4-dimethyl-4-piperidyl]phenol
  • 3-[(3s,4s)-1-[(3r)-3-cyclohexyl-3-hydroxy-propyl]-3,4-dimethyl-piperidin-4-yl]phenol
  • 3-[(3s,4s)-1-[(3r)-3-cyclohexyl-3-hydroxypropyl]-3,4-dimethyl-4-piperidinyl]phenol
  • 3-[(3s,4s)-1-[(3r)-3-cyclohexyl-3-hydroxypropyl]-3,4-dimethylpiperidin-4-yl]phenol
InChIKey LVVHEFJXPXAUDD-YHYVQYDKSA-N
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