4-[2-(4-Fluorophenyl)-5-(1-Methyl-4-Piperidinyl)-1H-Pyrrol-3-Yl]Pyridine

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Properties Simple | Detailed

Formula C21H22FN3
IUPAC Name 4-[2-(4-fluorophenyl)-5-(1-methyl-4-piperidyl)pyrrol-1-ium-5-ylium-3-yl]pyridine
Molecular Mass 335.418 g·mol−1
Heat of Formation 100.6 ± 16.7 kJ·mol−1
Dipole Moment 6.69 ± 1.08 D
Volume 418.92 Å 3
Surface Area 366.1 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-[2-(4-fluorophenyl)-5-(1-methyl-4-piperidyl)-1h-pyrrol-3-yl]pyridine
  • 4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1h-pyrrol-3-yl]pyridine
  • 4-[2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1h-pyrrol-3-yl]pyridine
InChIKey RBWNFHXBUDPAIO-UHFFFAOYSA-N
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Elements H C N F