ChemSpider 2D Image | 1-[4-Benzyl-4-(hydroxymethyl)-1-piperidinyl]-2-[4-(methylsulfanyl)phenyl]ethanone | C22H27NO2S

1-[4-Benzyl-4-(hydroxymethyl)-1-piperidinyl]-2-[4-(methylsulfanyl)phenyl]ethanone

  • Molecular FormulaC22H27NO2S
  • Average mass369.520 Da
  • Monoisotopic mass369.176239 Da
  • ChemSpider ID22186877

More details:

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

1-[4-Benzyl-4-(hydroxymethyl)-1-piperidinyl]-2-[4-(methylsulfanyl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[4-Benzyl-4-(hydroxymethyl)-1-piperidinyl]-2-[4-(methylsulfanyl)phenyl]ethanone [ACD/IUPAC Name]
1-[4-Benzyl-4-(hydroxyméthyl)-1-pipéridinyl]-2-[4-(méthylsulfanyl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-(hydroxymethyl)-4-(phenylmethyl)-1-piperidinyl]-2-[4-(methylthio)phenyl]- [ACD/Index Name]
(4-benzyl-1-{[4-(methylthio)phenyl]acetyl}-4-piperidinyl)methanol
1-[4-BENZYL-4-(HYDROXYMETHYL)PIPERIDIN-1-YL]-2-[4-(METHYLSULFANYL)PHENYL]ETHAN-1-ONE
1-[4-BENZYL-4-(HYDROXYMETHYL)PIPERIDIN-1-YL]-2-[4-(METHYLSULFANYL)PHENYL]ETHANONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.4±25.9 °C
Index of Refraction: 1.624
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 574.61
ACD/KOC (pH 5.5): 3286.72
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 574.61
ACD/KOC (pH 7.4): 3286.72
Polar Surface Area: 66 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 309.3±5.0 cm3

Click to predict properties on the Chemicalize site


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