(2R,3S)-N-{2-Methoxy-5-[5-(Trifluoromethyl)-1H-Tetrazol-1-Yl]Benzyl}-2-Phenyl-3-Piperidinamine

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Properties Simple | Detailed

Formula C21H23F3N6O
IUPAC Name (2r,3s)-n-[[2-methoxy-5-[5-(trifluoromethyl)-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl]phenyl]methyl]-2-phenyl-piperidin-3-amine
Molecular Mass 432.442 g·mol−1
Heat of Formation -277.7 ± 16.7 kJ·mol−1
Dipole Moment 10.54 ± 1.08 D
Volume 493.47 Å 3
Surface Area 380.17 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-n-[[2-methoxy-5-[5-(trifluoromethyl)-1,2,3,4-tetrazol-1-yl]phenyl]methyl]-2-phenyl-piperidin-3-amine
  • (2r,3s)-n-[[2-methoxy-5-[5-(trifluoromethyl)-1-tetrazolyl]phenyl]methyl]-2-phenyl-3-piperidinamine
  • (2r,3s)-n-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenyl-piperidin-3-amine
  • (2r,3s)-n-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
  • [2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzyl]-[(2r,3s)-2-phenyl-3-piperidyl]amine
InChIKey XILNRORTJVDYRH-PKOBYXMFSA-N
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