ChemSpider 2D Image | 1'-(3-{[(2,2-Dimethyltetrahydro-2H-pyran-4-yl)amino]methyl}-8-methyl-2-quinolinyl)-1,4'-bipiperidin-4-ol | C28H42N4O2

1'-(3-{[(2,2-Dimethyltetrahydro-2H-pyran-4-yl)amino]methyl}-8-methyl-2-quinolinyl)-1,4'-bipiperidin-4-ol

  • Molecular FormulaC28H42N4O2
  • Average mass466.659 Da
  • Monoisotopic mass466.330780 Da
  • ChemSpider ID22140247

More details:

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

[1,4'-Bipiperidin]-4-ol, 1'-[8-methyl-3-[[(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)amino]methyl]-2-quinolinyl]- [ACD/Index Name]
1'-(3-{[(2,2-Dimethyltetrahydro-2H-pyran-4-yl)amino]methyl}-8-methyl-2-chinolinyl)-1,4'-bipiperidin-4-ol [German] [ACD/IUPAC Name]
1'-(3-{[(2,2-Diméthyltétrahydro-2H-pyran-4-yl)amino]méthyl}-8-méthyl-2-quinoléinyl)-1,4'-bipipéridin-4-ol [French] [ACD/IUPAC Name]
1'-(3-{[(2,2-Dimethyltetrahydro-2H-pyran-4-yl)amino]methyl}-8-methyl-2-quinolinyl)-1,4'-bipiperidin-4-ol [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 648.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 345.9±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 4.82
ACD/KOC (pH 7.4): 40.07
Polar Surface Area: 61 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 394.5±5.0 cm3

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