ChemSpider 2D Image | 1-[4-(Hydroxymethyl)-4-(2-phenylethyl)-1-piperidinyl]-2-(phenylsulfanyl)ethanone | C22H27NO2S

1-[4-(Hydroxymethyl)-4-(2-phenylethyl)-1-piperidinyl]-2-(phenylsulfanyl)ethanone

  • Molecular FormulaC22H27NO2S
  • Average mass369.520 Da
  • Monoisotopic mass369.176239 Da
  • ChemSpider ID22158894

More details:

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

1-[4-(Hydroxymethyl)-4-(2-phenylethyl)-1-piperidinyl]-2-(phenylsulfanyl)ethanon [German] [ACD/IUPAC Name]
1-[4-(Hydroxymethyl)-4-(2-phenylethyl)-1-piperidinyl]-2-(phenylsulfanyl)ethanone [ACD/IUPAC Name]
1-[4-(Hydroxyméthyl)-4-(2-phényléthyl)-1-pipéridinyl]-2-(phénylsulfanyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-(hydroxymethyl)-4-(2-phenylethyl)-1-piperidinyl]-2-(phenylthio)- [ACD/Index Name]
{4-(2-phenylethyl)-1-[(phenylthio)acetyl]-4-piperidinyl}methanol
1-[4-(HYDROXYMETHYL)-4-(2-PHENYLETHYL)PIPERIDIN-1-YL]-2-(PHENYLSULFANYL)ETHAN-1-ONE
1-[4-(HYDROXYMETHYL)-4-(2-PHENYLETHYL)PIPERIDIN-1-YL]-2-(PHENYLSULFANYL)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: 550.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 286.5±23.2 °C
Index of Refraction: 1.623
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 836.49
ACD/KOC (pH 5.5): 4300.30
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 836.49
ACD/KOC (pH 7.4): 4300.30
Polar Surface Area: 66 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 309.8±5.0 cm3

Click to predict properties on the Chemicalize site


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