1-(4-Fluorophenyl)-4-{4-[(S)-(4-Fluorophenyl)(Hydroxy)Methyl]-1-Piperidinyl}-1-Butanone

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Properties Simple | Detailed

Formula C22H25F2NO2
IUPAC Name 1-(4-fluorophenyl)-4-[4-[(s)-(4-fluorophenyl)-hydroxy-methyl]-1-piperidyl]butan-1-one
Molecular Mass 373.436 g·mol−1
Heat of Formation -596.1 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 452.46 Å 3
Surface Area 397.6 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-fluorophenyl)-4-[4-[(s)-(4-fluorophenyl)-hydroxy-methyl]-1-piperidyl]butan-1-one
  • 1-(4-fluorophenyl)-4-[4-[(s)-(4-fluorophenyl)-hydroxy-methyl]piperidin-1-yl]butan-1-one
  • 1-(4-fluorophenyl)-4-[4-[(s)-(4-fluorophenyl)-hydroxymethyl]-1-piperidinyl]butan-1-one
  • 1-(4-fluorophenyl)-4-[4-[(s)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
InChIKey ICAYNKLSQSKOJZ-JOCHJYFZSA-N
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