(2,4-Dimethyl-1-Oxido-3-Pyridinyl){4-Methyl-4-[(3S)-3-Methyl-4-{(1S)-1-[4-(Trifluoromethyl)Phenyl]Ethyl}-1-Piperazinyl]-1-Piperidinyl}Methanone

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Properties Simple | Detailed

Formula C28H37F3N4O2
IUPAC Name (2,4-dimethyl-1-oxido-piperidine-2,3,4,5,6-pentaid-3-yl)-[4-methyl-4-[(1r,3s,4s)-3-methyl-4-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-1-piperidyl]methanone
Molecular Mass 518.614 g·mol−1
Heat of Formation -766.5 ± 16.7 kJ·mol−1
Dipole Moment 7.91 ± 1.08 D
Volume 617.69 Å 3
Surface Area 483.77 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2,4-dimethyl-1-oxido-3-pyridin-1-iumyl)-[4-methyl-4-[(3s)-3-methyl-4-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]-1-piperidinyl]methanone
  • (2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-methyl-4-[(3s)-3-methyl-4-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-1-piperidyl]methanone
  • (2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-methyl-4-[(3s)-3-methyl-4-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone
  • (2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[(3s)-3-methyl-4-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone
  • piperidine, 1-((2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl)-4-methyl-4-((3s)-3-methyl-4-((1s)-1-(4-(trifluoromethyl)phenyl)ethyl)-1-piperazinyl)-
  • piperidine, 1-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4-methyl-4-[(3s)-3-methyl-4-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]-
  • sch-350634
CAS Number(s)
  • 306293-41-4
InChIKey RQDGBNLSKUOAJD-SFTDATJTSA-N
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