ChemSpider 2D Image | (3R,4R)-1-{[5-(Cyclohexylsulfanyl)-2-furyl]methyl}-4-(2-methoxyethyl)-3-methyl-4-piperidinol | C20H33NO3S

(3R,4R)-1-{[5-(Cyclohexylsulfanyl)-2-furyl]methyl}-4-(2-methoxyethyl)-3-methyl-4-piperidinol

  • Molecular FormulaC20H33NO3S
  • Average mass367.546 Da
  • Monoisotopic mass367.218109 Da
  • ChemSpider ID29546147
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,4R)-1-{[5-(Cyclohexylsulfanyl)-2-furyl]methyl}-4-(2-methoxyethyl)-3-methyl-4-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-1-{[5-(Cyclohexylsulfanyl)-2-furyl]methyl}-4-(2-methoxyethyl)-3-methyl-4-piperidinol [ACD/IUPAC Name]
(3R,4R)-1-{[5-(Cyclohexylsulfanyl)-2-furyl]méthyl}-4-(2-méthoxyéthyl)-3-méthyl-4-pipéridinol [French] [ACD/IUPAC Name]
4-Piperidinol, 1-[[5-(cyclohexylthio)-2-furanyl]methyl]-4-(2-methoxyethyl)-3-methyl-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-1-{[5-(cyclohexylthio)-2-furyl]methyl}-4-(2-methoxyethyl)-3-methylpiperidin-4-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 485.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 247.1±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 104.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 12.89
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 102.60
ACD/KOC (pH 7.4): 648.81
Polar Surface Area: 71 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 321.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement