ChemSpider 2D Image | Methyl 4-([2-(dimethylamino)ethyl]{[1-(2-methoxybenzyl)-3-piperidinyl]methyl}amino)-4-oxobutanoate | C23H37N3O4

Methyl 4-([2-(dimethylamino)ethyl]{[1-(2-methoxybenzyl)-3-piperidinyl]methyl}amino)-4-oxobutanoate

  • Molecular FormulaC23H37N3O4
  • Average mass419.558 Da
  • Monoisotopic mass419.278412 Da
  • ChemSpider ID23072339

More details:

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

4-([2-(Diméthylamino)éthyl]{[1-(2-méthoxybenzyl)-3-pipéridinyl]méthyl}amino)-4-oxobutanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-(dimethylamino)ethyl][[1-[(2-methoxyphenyl)methyl]-3-piperidinyl]methyl]amino]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 4-([2-(dimethylamino)ethyl]{[1-(2-methoxybenzyl)-3-piperidinyl]methyl}amino)-4-oxobutanoate [ACD/IUPAC Name]
Methyl-4-([2-(dimethylamino)ethyl]{[1-(2-methoxybenzyl)-3-piperidinyl]methyl}amino)-4-oxobutanoat [German] [ACD/IUPAC Name]
METHYL 3-{[2-(DIMETHYLAMINO)ETHYL]({1-[(2-METHOXYPHENYL)METHYL]PIPERIDIN-3-YL}METHYL)CARBAMOYL}PROPANOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 531.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.0±28.7 °C
Index of Refraction: 1.526
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.28
Polar Surface Area: 62 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 384.6±3.0 cm3

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