4-({4-(4-Chlorophenyl)-1-[4-(4-Fluorophenyl)-4-Oxobutyl]-4-Piperidinyl}Oxy)-4-Oxobutanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C25H27ClFNO5
IUPAC Name 4-[[4-(4-chlorophenyl)-1-[4-(4-fluorobenzene-5-id-1-yl)-4-oxo-butyl]-4-piperidyl]oxy]-4-oxo-butanoate
Molecular Mass 475.937 g·mol−1
Heat of Formation -188.3 ± 16.7 kJ·mol−1
Dipole Moment 28.05 ± 1.08 D
Volume 553.73 Å 3
Surface Area 468.75 Å 2
HOMO Energy -7.14 ± 0.55 eV
LUMO Energy -5.82 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxo-butyl]piperidin-4-yl]oxy-4-oxo-butanoic acid
  • 4-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-4-oxobutanoic acid
  • 4-[[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-keto-butyl]-4-piperidyl]oxy]-4-keto-butyric acid
  • 4-[[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl]oxy]-4-oxobutanoic acid
  • butanedioic acid, mono(4-(4-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl) ester
  • haloperidol hemisuccinate
CAS Number(s)
  • 87425-73-8
InChIKey MRYKQXMLMOCFBB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N