ChemSpider 2D Image | [3-(Hydroxymethyl)-3-(3-phenylpropyl)-1-piperidinyl][4-(methylsulfanyl)phenyl]methanone | C23H29NO2S

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

  • Molecular FormulaC23H29NO2S
  • Average mass383.547 Da
  • Monoisotopic mass383.191895 Da
  • ChemSpider ID22205636

More details:

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

[3-(Hydroxymethyl)-3-(3-phenylpropyl)-1-piperidinyl][4-(methylsulfanyl)phenyl]methanon [German] [ACD/IUPAC Name]
[3-(Hydroxymethyl)-3-(3-phenylpropyl)-1-piperidinyl][4-(methylsulfanyl)phenyl]methanone [ACD/IUPAC Name]
[3-(Hydroxyméthyl)-3-(3-phénylpropyl)-1-pipéridinyl][4-(méthylsulfanyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(hydroxymethyl)-3-(3-phenylpropyl)-1-piperidinyl][4-(methylthio)phenyl]- [ACD/Index Name]
[1-[4-(methylthio)benzoyl]-3-(3-phenylpropyl)-3-piperidinyl]methanol
{1-[4-(METHYLSULFANYL)BENZOYL]-3-(3-PHENYLPROPYL)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: 563.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.8±23.2 °C
Index of Refraction: 1.617
Molar Refractivity: 113.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1179.33
ACD/KOC (pH 5.5): 5498.91
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1179.33
ACD/KOC (pH 7.4): 5498.91
Polar Surface Area: 66 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 325.5±5.0 cm3

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