ChemSpider 2D Image | 4-Benzyl-1-[2-(methylsulfanyl)benzyl]piperidine | C20H25NS

4-Benzyl-1-[2-(methylsulfanyl)benzyl]piperidine

  • Molecular FormulaC20H25NS
  • Average mass311.484 Da
  • Monoisotopic mass311.170776 Da
  • ChemSpider ID22734337

More details:

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

4-Benzyl-1-[2-(methylsulfanyl)benzyl]piperidin [German] [ACD/IUPAC Name]
4-Benzyl-1-[2-(methylsulfanyl)benzyl]piperidine [ACD/IUPAC Name]
4-Benzyl-1-[2-(méthylsulfanyl)benzyl]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-[[2-(methylthio)phenyl]methyl]-4-(phenylmethyl)- [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: 426.5±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.7±24.0 °C
Index of Refraction: 1.612
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 4.97
ACD/KOC (pH 5.5): 17.19
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 175.19
ACD/KOC (pH 7.4): 605.59
Polar Surface Area: 29 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 282.9±5.0 cm3

Click to predict properties on the Chemicalize site


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