ChemSpider 2D Image | 1-(3-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-1-piperidinyl)-3-(methylsulfanyl)-1-propanone | C20H32N2O3S

1-(3-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-1-piperidinyl)-3-(methylsulfanyl)-1-propanone

  • Molecular FormulaC20H32N2O3S
  • Average mass380.545 Da
  • Monoisotopic mass380.213348 Da
  • ChemSpider ID22229570

More details:

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

1-(3-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-1-piperidinyl)-3-(methylsulfanyl)-1-propanon [German] [ACD/IUPAC Name]
1-(3-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-1-piperidinyl)-3-(methylsulfanyl)-1-propanone [ACD/IUPAC Name]
1-(3-{[2-(3,4-Diméthoxyphényl)éthyl](méthyl)amino}-1-pipéridinyl)-3-(méthylsulfanyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]-1-piperidinyl]-3-(methylthio)- [ACD/Index Name]
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[3-(methylthio)propanoyl]-3-piperidinamine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 542.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.6±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.41
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 18.70
ACD/KOC (pH 7.4): 173.34
Polar Surface Area: 67 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 336.0±5.0 cm3

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