1-(2-Amino-4-Fluorophenyl)-4-{4-Hydroxy-4-[3-(Trifluoromethyl)Phenyl]-1-Piperidinyl}-1-Butanone

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Properties Simple | Detailed

Formula C22H24F4N2O2
IUPAC Name 1-(2-amino-4-fluoro-phenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]butan-1-one
Molecular Mass 424.432 g·mol−1
Heat of Formation -1112.1 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 477.56 Å 3
Surface Area 385.81 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-amino-4-fluoro-phenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
  • 1-(2-amino-4-fluorophenyl)-4-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)-1-piperidinyl)-1-butanone, monohydrochloride
  • 1-(2-amino-4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]butan-1-one
  • 1-(2-amino-4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
  • 1-(3-(2-amino-4-fluorobenzoyl)propyl)-4-hydroxy-4-(3-trifluoromethylphenyl)piperidine
  • 1-butanone, 1-(2-amino-4-fluorophenyl)-4-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)-1-piperidinyl)-
  • id-4708
CAS Number(s)
  • 42048-72-6
InChIKey SBAFWLYMAPHVMW-UHFFFAOYSA-N
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