2-Fluoro-4'-Methoxy-3'-({[(2S,3S)-2-Phenyl-3-Piperidinyl]Amino}Methyl)-4-Biphenylcarbonitrile

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Properties Simple | Detailed

Formula C26H26FN3O
IUPAC Name 3-fluoro-4-[4-methoxy-3-[[[(2s,3s)-2-phenyl-3-piperidyl]amino]methyl]phenyl]benzonitrile
Molecular Mass 415.503 g·mol−1
Heat of Formation 25.4 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 507.54 Å 3
Surface Area 391.8 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
Synonyms
  • 3-fluoro-4-[4-methoxy-3-[[[(2s,3s)-2-phenyl-3-piperidinyl]amino]methyl]phenyl]benzonitrile
  • 3-fluoro-4-[4-methoxy-3-[[[(2s,3s)-2-phenyl-3-piperidyl]amino]methyl]phenyl]benzonitrile
  • 3-fluoro-4-[4-methoxy-3-[[[(2s,3s)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]benzonitrile
InChIKey BJOOHYLOKXAENV-AHWVRZQESA-N
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