ChemSpider 2D Image | Cyclohexyl(3-{[4-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)phenoxy]methyl}-1-piperidinyl)methanone | C28H39N3O2

Cyclohexyl(3-{[4-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)phenoxy]methyl}-1-piperidinyl)methanone

  • Molecular FormulaC28H39N3O2
  • Average mass449.628 Da
  • Monoisotopic mass449.304230 Da
  • ChemSpider ID22243375

More details:

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

Cyclohexyl(3-{[4-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)phenoxy]methyl}-1-piperidinyl)methanon [German] [ACD/IUPAC Name]
Cyclohexyl(3-{[4-({methyl[2-(2-pyridinyl)ethyl]amino}methyl)phenoxy]methyl}-1-piperidinyl)methanone [ACD/IUPAC Name]
Cyclohexyl(3-{[4-({méthyl[2-(2-pyridinyl)éthyl]amino}méthyl)phénoxy]méthyl}-1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, cyclohexyl[3-[[4-[[methyl[2-(2-pyridinyl)ethyl]amino]methyl]phenoxy]methyl]-1-piperidinyl]- [ACD/Index Name]
({4-[(1-CYCLOHEXANECARBONYLPIPERIDIN-3-YL)METHOXY]PHENYL}METHYL)(METHYL)[2-(PYRIDIN-2-YL)ETHYL]AMINE
(4-{[1-(cyclohexylcarbonyl)-3-piperidinyl]methoxy}benzyl)methyl[2-(2-pyridinyl)ethyl]amine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 607.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.4±28.7 °C
Index of Refraction: 1.566
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 5.36
ACD/KOC (pH 5.5): 19.74
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 245.01
ACD/KOC (pH 7.4): 902.88
Polar Surface Area: 46 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 407.7±3.0 cm3

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