4-(4-Chlorophenyl)-1-(3-(2-(4-Fluorophenyl)-1,3-Dithiolan-2-Yl)Propyl)-4-Piperidinol

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Properties Simple | Detailed

Formula C23H27ClFNOS2
IUPAC Name 4-(4-chlorophenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dithiolan-2-yl]propyl]piperidin-4-ol
Molecular Mass 452.048 g·mol−1
Heat of Formation -254.9 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 522.86 Å 3
Surface Area 429.94 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3[4-(4-chlorophenyl)-4-hydroxy-piperidinyl]propyl]-2-(4-fluorophenyl)-1,3-dithiolane
  • 4-(4-chloro-phenyl)-1-{3-[2-(4-fluoro-phenyl)-[1,3]dithiolan-2-yl]-propyl}-piperidin-4-ol
  • 4-(4-chlorophenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dithiolan-2-yl]propyl]-4-piperidinol
  • 4-piperidinol, 4-(4-chlorophenyl)-1-(3-(2-(4-fluorophenyl)-1,3-dithiolan-2-yl)propyl)-
  • haloperidol, thioketal deriv.
  • thioketal haloperidol
  • thk
  • ucsf8
CAS Number(s)
  • 150176-80-0
InChIKey KVDKNVPAAQKHKD-UHFFFAOYSA-N
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