5-(4-Chlorophenyl)-4-Methyl-3-(1-(2-Phenylethyl)Piperidin-4-Yl)Isoxazole

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Properties Simple | Detailed

Formula C23H25ClN2O
IUPAC Name 5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)-4-piperidyl]isoxazole
Molecular Mass 380.910 g·mol−1
Heat of Formation 164.7 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 463.46 Å 3
Surface Area 412.67 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[5-(4-chlorophenyl)-4-methyl-1,2-oxazol-3-yl]-1-(2-phenylethyl)piperidine
  • 4-[5-(4-chlorophenyl)-4-methyl-3-isoxazolyl]-1-(2-phenylethyl)piperidine
  • 4-[5-(4-chlorophenyl)-4-methyl-isoxazol-3-yl]-1-(2-phenylethyl)piperidine
  • biomol-nt_000048
  • bpbio1_001096
  • cmpepi-3
  • l 741,742
  • l 741742
  • l-741,742
  • l-741742
  • l741742
  • tocris-1004
CAS Number(s)
  • 156337-32-5
InChIKey QDMAKDIDFJTXEL-UHFFFAOYSA-N
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Elements H C N O Cl