(2,4-Dimethyl-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 C28H37F3N4O
IUPAC Name (2,4-dimethyl-3-pyridyl)-[4-methyl-4-[(1r,3s)-3-methyl-4-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-1-piperidyl]methanone
Molecular Mass 502.615 g·mol−1
Heat of Formation -749.0 ± 16.7 kJ·mol−1
Dipole Moment 7.14 ± 1.08 D
Volume 615.18 Å 3
Surface Area 478.32 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2,4-dimethyl-3-pyridyl)-[4-methyl-4-[(3s)-3-methyl-4-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]-1-piperidinyl]methanone
  • (2,4-dimethyl-3-pyridyl)-[4-methyl-4-[(3s)-3-methyl-4-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-1-piperidyl]methanone
  • (2,4-dimethylpyridin-3-yl)-[4-methyl-4-[(3s)-3-methyl-4-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone
  • ad101
  • piperazine, 4-[1-[(2,4-dimethyl-3-pyridinyl)carbonyl]-4-methyl-4-piperidinyl]-2-methyl-1-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]-, (2s)-
  • sch 350581
InChIKey DTKUANPECHGGBY-UNMCSNQZSA-N
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