ChemSpider 2D Image | [3-(Hydroxymethyl)-3-(2-phenylethyl)-1-piperidinyl][4-(methylsulfanyl)phenyl]methanone | C22H27NO2S

[3-(Hydroxymethyl)-3-(2-phenylethyl)-1-piperidinyl][4-(methylsulfanyl)phenyl]methanone

  • Molecular FormulaC22H27NO2S
  • Average mass369.520 Da
  • Monoisotopic mass369.176239 Da
  • ChemSpider ID22244502

More details:

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

[3-(Hydroxymethyl)-3-(2-phenylethyl)-1-piperidinyl][4-(methylsulfanyl)phenyl]methanon [German] [ACD/IUPAC Name]
[3-(Hydroxymethyl)-3-(2-phenylethyl)-1-piperidinyl][4-(methylsulfanyl)phenyl]methanone [ACD/IUPAC Name]
[3-(Hydroxyméthyl)-3-(2-phényléthyl)-1-pipéridinyl][4-(méthylsulfanyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(hydroxymethyl)-3-(2-phenylethyl)-1-piperidinyl][4-(methylthio)phenyl]- [ACD/Index Name]
[1-[4-(methylthio)benzoyl]-3-(2-phenylethyl)-3-piperidinyl]methanol
{1-[4-(METHYLSULFANYL)BENZOYL]-3-(2-PHENYLETHYL)PIPERIDIN-3-YL}METHANOL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 554.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 289.0±23.2 °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: 3.64
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 338.67
ACD/KOC (pH 5.5): 2251.21
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 338.67
ACD/KOC (pH 7.4): 2251.21
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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