(±)-3-(1,3-Dimethyl-4-Propyl-4-Piperidinyl)Phenol

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Properties Simple | Detailed

Formula C16H25NO
IUPAC Name 3-[(1r,3r,4s)-1,3-dimethyl-4-propyl-4-piperidyl]phenol
Molecular Mass 247.376 g·mol−1
Heat of Formation -207.0 ± 16.7 kJ·mol−1
Dipole Moment 0.52 ± 1.08 D
Volume 333.12 Å 3
Surface Area 284.36 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-3-(1,3-dimethyl-4-propyl-4-piperidinyl)phenol
  • 3-[(3r,4s)-1,3-dimethyl-4-propyl-4-piperidinyl]phenol
  • 3-[(3r,4s)-1,3-dimethyl-4-propyl-4-piperidyl]phenol
  • 3-[(3r,4s)-1,3-dimethyl-4-propyl-piperidin-4-yl]phenol
  • 3-[(3r,4s)-1,3-dimethyl-4-propylpiperidin-4-yl]phenol
  • phenol, 3-(1,3-dimethyl-4-propyl-4-piperidinyl)-, trans-(+-)-
  • picenadol
CAS Number(s)
  • 79201-85-7
InChIKey RTOHPIRUUAKHOZ-BBRMVZONSA-N
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