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

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Properties Simple | Detailed

Formula C28H35NO4
IUPAC Name [(1r)-1,3-diphenylpropyl] (2s)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate
Molecular Mass 449.582 g·mol−1
Heat of Formation -662.9 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 569.86 Å 3
Surface Area 440.42 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 3.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid [(1r)-1,3-di(phenyl)propyl] ester
  • (2s)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid [(1r)-1,3-di(phenyl)propyl] ester
  • [(1r)-1,3-di(phenyl)propyl] (2s)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate
  • [(1r)-1,3-di(phenyl)propyl] (2s)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
InChIKey WQTIHJORCCUQBO-BJKOFHAPSA-N
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