4-(2-{4-[(2E)-3-(4-Chlorophenyl)-2-Propen-1-Yl]-1-Piperazinyl}Ethyl)Benzoic Acid

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Properties Simple | Detailed

Formula C22H25ClN2O2
IUPAC Name 4-[2-[4-[(e)-3-(4-chlorophenyl)allyl]piperazin-1-ium-1-yl]ethyl]benzoate
Molecular Mass 384.899 g·mol−1
Heat of Formation 117.8 ± 16.7 kJ·mol−1
Dipole Moment 36.31 ± 1.08 D
Volume 470.43 Å 3
Surface Area 420.62 Å 2
HOMO Energy -7.10 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-(4-(3-(4-chlorophenyl)-2-propenyl)-1-piperazinyl)ethyl)benzoic acid
  • 4-[2-[4-[(e)-3-(4-chlorophenyl)prop-2-enyl]-1-piperazinyl]ethyl]benzoic acid
  • 4-[2-[4-[(e)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]ethyl]benzoic acid
  • 4-[2-[4-[3-(4-chlorophenyl)prop-2-enyl]-1-piperazinyl]ethyl]benzoic acid
  • 4-[2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]ethyl]benzoic acid
  • benzoic acid, 4-(2-(4-(3-(4-chlorophenyl)-2-propenyl)-1-piperazinyl)ethyl)-
  • bm 15766
CAS Number(s)
  • 86621-92-3
InChIKey YQIGCNRBMYEJID-OWOJBTEDSA-N
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Elements H C N O Cl