(2R,4R,5R)-1-Allyl-2,5-Dimethyl-4-Piperidinyl Benzoate

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Properties Simple | Detailed

Formula C17H23NO2
IUPAC Name [(1s,2r,4r,5r)-1-allyl-2,5-dimethyl-4-piperidyl] benzoate
Molecular Mass 273.370 g·mol−1
Heat of Formation -261.5 ± 16.7 kJ·mol−1
Dipole Moment 1.01 ± 1.08 D
Volume 361.42 Å 3
Surface Area 317.71 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,4r,5r)-1-allyl-2,5-dimethyl-4-piperidyl] benzoate
  • [(2r,4r,5r)-2,5-dimethyl-1-prop-2-enyl-piperidin-4-yl] benzoate
  • [(2r,4r,5r)-2,5-dimethyl-1-prop-2-enylpiperidin-4-yl] benzoate
  • benzoic acid [(2r,4r,5r)-1-allyl-2,5-dimethyl-4-piperidinyl] ester
  • benzoic acid [(2r,4r,5r)-1-allyl-2,5-dimethyl-4-piperidyl] ester
InChIKey GCJXHLAUPMDQPQ-IIAWOOMASA-N
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