(1R)-1-Cyclohexyl-3-Phenylpropyl (2S)-1-(3,3-Dimethyl-2-Oxopentanoyl)-2-Piperidinecarboxylate

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Properties Simple | Detailed

Formula C28H41NO4
IUPAC Name [(1r)-1-cyclohexyl-3-phenyl-propyl] (2s)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate
Molecular Mass 455.629 g·mol−1
Heat of Formation -852.6 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 594.16 Å 3
Surface Area 458.51 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid [(1r)-1-cyclohexyl-3-phenyl-propyl] ester
  • (2s)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid [(1r)-1-cyclohexyl-3-phenylpropyl] ester
  • [(1r)-1-cyclohexyl-3-phenyl-propyl] (2s)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate
  • [(1r)-1-cyclohexyl-3-phenylpropyl] (2s)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
InChIKey PANCOFAQARSQHI-BJKOFHAPSA-N
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