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
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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
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InChIKey |
DTKUANPECHGGBY-UNMCSNQZSA-N |
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Elements |
H
C
N
O
F
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