5-{[(2R,3R)-3-{[3,5-Bis(Trifluoromethyl)Benzyl]Oxy}-2-Phenyl-1-Piperidinyl]Methyl}-1,2-Dihydro-3H-1,2,4-Triazol-3-One

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Properties Simple | Detailed

Formula C23H24F6N4O2
IUPAC Name 5-[[(2r,3r)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
Molecular Mass 502.453 g·mol−1
Heat of Formation -1284.0 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 542.23 Å 3
Surface Area 407.15 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[[(2r,3r)-3-[3,5-bis(trifluoromethyl)benzyl]oxy-2-phenyl-1-piperidyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
  • 5-[[(2r,3r)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-1-piperidinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
  • 5-[[(2r,3r)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-1-piperidyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
  • 5-[[(2r,3r)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-piperidin-1-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
InChIKey ZUWHBRRBKKTMQO-UYAOXDASSA-N
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