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

Molecule SVG Image

Properties Simple | Detailed

Formula C21H22F4N6O
IUPAC Name (2s,3s)-n-[[2-(fluoromethoxy)-5-[5-(trifluoromethyl)-2,4-diaza-1-azonia-3-azanidacyclopenta-1,4-dien-1-yl]phenyl]methyl]-2-phenyl-piperidin-3-amine
Molecular Mass 450.433 g·mol−1
Heat of Formation -462.2 ± 16.7 kJ·mol−1
Dipole Moment 7.14 ± 1.08 D
Volume 500.59 Å 3
Surface Area 370.14 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-n-[[2-(fluoromethoxy)-5-[5-(trifluoromethyl)-1,2,3,4-tetrazol-1-yl]phenyl]methyl]-2-phenyl-piperidin-3-amine
  • (2s,3s)-n-[[2-(fluoromethoxy)-5-[5-(trifluoromethyl)-1-tetrazolyl]phenyl]methyl]-2-phenyl-3-piperidinamine
  • (2s,3s)-n-[[2-(fluoromethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenyl-piperidin-3-amine
  • (2s,3s)-n-[[2-(fluoromethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
  • [2-(fluoromethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzyl]-[(2s,3s)-2-phenyl-3-piperidyl]amine
InChIKey KSKJMSAKVZSMMV-HKUYNNGSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F