(4S)-1-Phenyl-7-(3-Pyridinyl)-4-Heptanyl (2S)-1-[Difluoro(3,4,5-Trimethoxyphenyl)Acetyl]-2-Piperidinecarboxylate

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Properties Simple | Detailed

Formula C35H42F2N2O6
IUPAC Name [(1s)-1-(3-phenylpropyl)-4-(3-pyridyl)butyl] (2s)-1-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
Molecular Mass 624.715 g·mol−1
Heat of Formation -1253.3 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 759.77 Å 3
Surface Area 578.19 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[2,2-difluoro-1-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2-piperidinecarboxylic acid [(1s)-1-(3-phenylpropyl)-4-(3-pyridyl)butyl] ester
  • (2s)-1-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]pipecolinic acid [(1s)-1-(3-phenylpropyl)-4-(3-pyridyl)butyl] ester
  • (4s)-1-phenyl-7-(pyridin-3-yl)heptan-4-yl (2s)-1-[difluoro(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
  • (s)-4-phenyl-1-[3-(3-pyridyl)propyl]butyl n-[difluoro(3,4,5-trimethoxy)acetyl]-l-pipecolate
  • 1-[2,2-difluoro-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(3-pyridin-3-yl-propyl)-butyl ester
  • [(1s)-1-(3-phenylpropyl)-4-(3-pyridyl)butyl] (2s)-1-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
  • [(4s)-1-phenyl-7-pyridin-3-yl-heptan-4-yl] (2s)-1-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate
  • [(4s)-1-phenyl-7-pyridin-3-ylheptan-4-yl] (2s)-1-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
  • fkb-001
InChIKey NBYCDVVSYOMFMS-VMPREFPWSA-N
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