ChemSpider 2D Image | 1-[4-Benzyl-4-(hydroxymethyl)-1-piperidinyl]-3-(methylsulfanyl)-1-propanone | C17H25NO2S

1-[4-Benzyl-4-(hydroxymethyl)-1-piperidinyl]-3-(methylsulfanyl)-1-propanone

  • Molecular FormulaC17H25NO2S
  • Average mass307.451 Da
  • Monoisotopic mass307.160614 Da
  • ChemSpider ID22131676

More details:

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

1-[4-Benzyl-4-(hydroxymethyl)-1-piperidinyl]-3-(methylsulfanyl)-1-propanon [German] [ACD/IUPAC Name]
1-[4-Benzyl-4-(hydroxymethyl)-1-piperidinyl]-3-(methylsulfanyl)-1-propanone [ACD/IUPAC Name]
1-[4-Benzyl-4-(hydroxyméthyl)-1-pipéridinyl]-3-(méthylsulfanyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-(hydroxymethyl)-4-(phenylmethyl)-1-piperidinyl]-3-(methylthio)- [ACD/Index Name]
{4-benzyl-1-[3-(methylthio)propanoyl]-4-piperidinyl}methanol
1-[4-BENZYL-4-(HYDROXYMETHYL)PIPERIDIN-1-YL]-3-(METHYLSULFANYL)PROPAN-1-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 490.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.3±21.8 °C
Index of Refraction: 1.566
Molar Refractivity: 88.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.00
ACD/KOC (pH 5.5): 878.82
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.00
ACD/KOC (pH 7.4): 878.82
Polar Surface Area: 66 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 271.1±3.0 cm3

Click to predict properties on the Chemicalize site


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