3-[(3R,4R)-3,4-Dimethyl-1-(2-Phenylethyl)-4-Piperidinyl]Phenol

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Properties Simple | Detailed

Formula C21H27NO
IUPAC Name 3-[(1r,3r,4r)-3,4-dimethyl-1-(2-phenylethyl)-4-piperidyl]phenol
Molecular Mass 309.445 g·mol−1
Heat of Formation -78.8 ± 16.7 kJ·mol−1
Dipole Moment 1.25 ± 1.08 D
Volume 405.91 Å 3
Surface Area 350.16 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(3r,4r)-3,4-dimethyl-1-(2-phenylethyl)-4-piperidyl]phenol
  • 3-[(3r,4r)-3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenol
  • ly 106737
  • ly-106737
  • phenol, 3-(3,4-dimethyl-1-(2-phenylethyl)-4-piperidinyl)-, cis-(+-)-
CAS Number(s)
  • 82970-72-7
InChIKey ULOGPOOAAOSAOC-LAUBAEHRSA-N
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