ChemSpider 2D Image | (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 | C28H37F3N4O2

(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

  • Molecular FormulaC28H37F3N4O2
  • Average mass518.614 Da
  • Monoisotopic mass518.286865 Da
  • ChemSpider ID446208
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2,4-Dimethyl-1-oxido-3-pyridinyl){4-methyl-4-[(3S)-3-methyl-4-{(1S)-1-[4-(trifluormethyl)phenyl]ethyl}-1-piperazinyl]-1-piperidinyl}methanon [German] [ACD/IUPAC Name]
(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 [ACD/IUPAC Name]
(2,4-dimethyl-1-oxidopyridin-3-yl){4-methyl-4-[(3S)-3-methyl-4-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}piperazin-1-yl]piperidin-1-yl}methanone
(2,4-Diméthyl-1-oxydo-3-pyridinyl){4-méthyl-4-[(3S)-3-méthyl-4-{(1S)-1-[4-(trifluorométhyl)phényl]éthyl}-1-pipérazinyl]-1-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (2,4-dimethyl-1-oxido-3-pyridinyl)[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]-1-piperidinyl]- [ACD/Index Name]
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]-
(2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone
(2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone
306293-41-4 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS185446 [DBID]
AIDS-185446 [DBID]
SCH 350634 [DBID]
Sch-350634 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 644.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.3±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 138.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 11.70
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 49.23
ACD/KOC (pH 7.4): 459.37
Polar Surface Area: 52 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 421.5±7.0 cm3

Click to predict properties on the Chemicalize site






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