ChemSpider 2D Image | (2,4-Dimethyl-3-pyridinyl){4-methyl-4-[(3S)-3-methyl-4-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1-piperazinyl]-1-piperidinyl}methanone | C28H37F3N4O

(2,4-Dimethyl-3-pyridinyl){4-methyl-4-[(3S)-3-methyl-4-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1-piperazinyl]-1-piperidinyl}methanone

  • Molecular FormulaC28H37F3N4O
  • Average mass502.615 Da
  • Monoisotopic mass502.291931 Da
  • ChemSpider ID408021

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2,4-Dimethyl-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-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-Diméthyl-3-pyridinyl){4-méthyl-4-[(3S)-3-méthyl-4-{(1S)-1-[4-(trifluorométhyl)phényl]éthyl}-1-pipérazinyl]-1-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
(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
Methanone, (2,4-dimethyl-3-pyridinyl)[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]-1-piperidinyl]- [ACD/Index Name]
Piperazine, 4-[1-[(2,4-dimethyl-3-pyridinyl)carbonyl]-4-methyl-4-piperidinyl]-2-methyl-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-, (2S)-
(2,4-Dimethyl-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-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone
306293-36-7 [RN]
AD101
More...

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

AIDS041333 [DBID]
AIDS-041333 [DBID]
SCH 350581 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 582.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.9±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 135.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 4.14
ACD/KOC (pH 5.5): 21.41
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 366.44
ACD/KOC (pH 7.4): 1893.07
Polar Surface Area: 40 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 430.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement