3-{(3R,4R)-3,4-Dimethyl-1-[(2E)-3-(2-Methylphenyl)-2-Propen-1-Yl]-4-Piperidinyl}Phenol

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Properties Simple | Detailed

Formula C23H29NO
IUPAC Name 3-[(1s,3r,4r)-3,4-dimethyl-1-[(e)-3-(o-tolyl)allyl]-4-piperidyl]phenol
Molecular Mass 335.482 g·mol−1
Heat of Formation -35.4 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 444.61 Å 3
Surface Area 380.11 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(3r,4r)-3,4-dimethyl-1-[(e)-3-(2-methylphenyl)prop-2-enyl]-4-piperidinyl]phenol
  • 3-[(3r,4r)-3,4-dimethyl-1-[(e)-3-(2-methylphenyl)prop-2-enyl]-4-piperidyl]phenol
  • 3-[(3r,4r)-3,4-dimethyl-1-[(e)-3-(2-methylphenyl)prop-2-enyl]piperidin-4-yl]phenol
InChIKey FJFLDQXXCJUUBR-XECBNOGISA-N
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