1'-[3-(2-Hydroxy-10,11-Dihydro-5H-Dibenzo[B,F]Azepin-5-Yl)Propyl]-1,4'-Bipiperidine-4'-Carboxamide

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Properties Simple | Detailed

Formula C27H22N4O2
IUPAC Name (10z)-11-ethynyl-1-[3-[4-isocyanato-4-(2h-pyridin-1-yl)-1-pyridyl]prop-2-ynyl]-10-methyl-1-azacycloundec-10-en-3,8-diyn-5-one
Molecular Mass 434.489 g·mol−1
Heat of Formation 4454.5 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 498.02 Å 3
Surface Area 392.83 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -2.86 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-(8-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(1-piperidyl)-4-piperidinecarboxamide
  • 1-[3-(8-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(1-piperidyl)piperidine-4-carboxamide
  • 1-[3-(8-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-yl-piperidine-4-carboxamide
  • 1-[3-(8-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
  • 1-[3-(8-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidino-isonipecotamide
  • 2-hydroxycarpipramine
  • rp 46238
CAS Number(s)
  • 97716-11-5
InChIKey UISLUYZZBAWGAN-UHFFFAOYSA-N
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