(2,4-Dimethyl-1-Oxido-3-Pyridinyl){4'-Methyl-4-[Phenyl(3-Pyridinyl)Amino]-1,4'-Bipiperidin-1'-Yl}Methanone

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Properties Simple | Detailed

Formula C30H37N5O2
IUPAC Name (2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-methyl-4-[4-[n-(3-pyridyl)anilino]-1-piperidyl]-1-piperidyl]methanone
Molecular Mass 499.647 g·mol−1
Heat of Formation 76.7 ± 16.7 kJ·mol−1
Dipole Moment 6.95 ± 1.08 D
Volume 621.26 Å 3
Surface Area 483.04 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2,4-dimethyl-1-oxido-3-pyridin-1-iumyl)-[4-methyl-4-[4-(phenyl-(3-pyridyl)amino)-1-piperidinyl]-1-piperidinyl]methanone
  • (2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-methyl-4-[4-(phenyl-(3-pyridyl)amino)-1-piperidyl]-1-piperidyl]methanone
  • (2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-methyl-4-[4-(phenyl-pyridin-3-yl-amino)piperidin-1-yl]piperidin-1-yl]methanone
  • (2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-(phenyl-pyridin-3-ylamino)piperidin-1-yl]piperidin-1-yl]methanone
InChIKey DDVVRHNNOPQPGB-UHFFFAOYSA-N
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