1-(4-Chlorophenyl)-4-[4-(4-Chlorophenyl)-4-Hydroxy-1-Piperidinyl]-1-Butanone

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Properties Simple | Detailed

Formula C21H23Cl2NO2
IUPAC Name 1-(4-chlorophenyl)-4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]butan-1-one
Molecular Mass 392.319 g·mol−1
Heat of Formation -274.4 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 461.92 Å 3
Surface Area 400.18 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-(4-chlorobenzoyl)propyl)-4-hydroxy-4-(4-chlorophenyl)piperidine
  • 1-(4-chlorophenyl)-4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]butan-1-one
  • 1-(4-chlorophenyl)-4-[4-(4-chlorophenyl)-4-hydroxy-piperidin-1-yl]butan-1-one
  • 1-(4-chlorophenyl)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
  • 1-butanone, 1-(4-chlorophenyl)-4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-
  • chlorohaloperidol
CAS Number(s)
  • 59995-68-5
InChIKey QETRGFJTEVVJTC-UHFFFAOYSA-N
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Elements H C N O Cl