ChemSpider 2D Image | {3-(3-Methoxybenzyl)-1-[4-(methylsulfanyl)benzyl]-3-piperidinyl}methanol | C22H29NO2S

{3-(3-Methoxybenzyl)-1-[4-(methylsulfanyl)benzyl]-3-piperidinyl}methanol

  • Molecular FormulaC22H29NO2S
  • Average mass371.536 Da
  • Monoisotopic mass371.191895 Da
  • ChemSpider ID22177610

More details:

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

{3-(3-Methoxybenzyl)-1-[4-(methylsulfanyl)benzyl]-3-piperidinyl}methanol [ACD/IUPAC Name]
{3-(3-Methoxybenzyl)-1-[4-(methylsulfanyl)benzyl]-3-piperidinyl}methanol [German] [ACD/IUPAC Name]
{3-(3-Méthoxybenzyl)-1-[4-(méthylsulfanyl)benzyl]-3-pipéridinyl}méthanol [French] [ACD/IUPAC Name]
3-Piperidinemethanol, 3-[(3-methoxyphenyl)methyl]-1-[[4-(methylthio)phenyl]methyl]- [ACD/Index Name]
{3-(3-methoxybenzyl)-1-[4-(methylthio)benzyl]-3-piperidinyl}methanol
{3-[(3-METHOXYPHENYL)METHYL]-1-{[4-(METHYLSULFANYL)PHENYL]METHYL}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: 496.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 254.1±25.9 °C
Index of Refraction: 1.614
Molar Refractivity: 110.9±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): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.97
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 11.91
ACD/KOC (pH 7.4): 75.51
Polar Surface Area: 58 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 318.0±5.0 cm3

Click to predict properties on the Chemicalize site


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