ChemSpider 2D Image | (2E)-3-(4-Methoxyphenyl)-N-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]-N-(4-pyridinylmethyl)-2-propen-1-amine | C28H40N4O

(2E)-3-(4-Methoxyphenyl)-N-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]-N-(4-pyridinylmethyl)-2-propen-1-amine

  • Molecular FormulaC28H40N4O
  • Average mass448.643 Da
  • Monoisotopic mass448.320221 Da
  • ChemSpider ID23038399

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Methoxyphenyl)-N-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]-N-(4-pyridinylmethyl)-2-propen-1-amin [German] [ACD/IUPAC Name]
(2E)-3-(4-Methoxyphenyl)-N-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]-N-(4-pyridinylmethyl)-2-propen-1-amine [ACD/IUPAC Name]
(2E)-3-(4-Méthoxyphényl)-N-[(1'-méthyl-1,4'-bipipéridin-4-yl)méthyl]-N-(4-pyridinylméthyl)-2-propén-1-amine [French] [ACD/IUPAC Name]
4-Pyridinemethanamine, N-[(2E)-3-(4-methoxyphenyl)-2-propen-1-yl]-N-[(1'-methyl[1,4'-bipiperidin]-4-yl)methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 586.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.6±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 2.01
ACD/KOC (pH 7.4): 11.35
Polar Surface Area: 32 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 413.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement