ChemSpider 2D Image | Ethyl 1-[1-(methylsulfanyl)-2-propanyl]-4-(2-phenylethyl)-4-piperidinecarboxylate | C20H31NO2S

Ethyl 1-[1-(methylsulfanyl)-2-propanyl]-4-(2-phenylethyl)-4-piperidinecarboxylate

  • Molecular FormulaC20H31NO2S
  • Average mass349.531 Da
  • Monoisotopic mass349.207550 Da
  • ChemSpider ID22164574

More details:

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

1-[1-(Méthylsulfanyl)-2-propanyl]-4-(2-phényléthyl)-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[1-methyl-2-(methylthio)ethyl]-4-(2-phenylethyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-[1-(methylsulfanyl)-2-propanyl]-4-(2-phenylethyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[1-(methylsulfanyl)-2-propanyl]-4-(2-phenylethyl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 1-[1-(METHYLSULFANYL)PROPAN-2-YL]-4-(2-PHENYLETHYL)PIPERIDINE-4-CARBOXYLATE
ethyl 1-[1-methyl-2-(methylthio)ethyl]-4-(2-phenylethyl)-4-piperidinecarboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 446.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 223.8±27.3 °C
Index of Refraction: 1.531
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 8.63
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 66.05
ACD/KOC (pH 7.4): 297.70
Polar Surface Area: 55 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 330.9±3.0 cm3

Click to predict properties on the Chemicalize site


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