ChemSpider 2D Image | (3R,4R)-4-(2-Methoxyethyl)-3-methyl-1-[(2-methyl-1-benzothiophen-3-yl)methyl]-4-piperidinol | C19H27NO2S

(3R,4R)-4-(2-Methoxyethyl)-3-methyl-1-[(2-methyl-1-benzothiophen-3-yl)methyl]-4-piperidinol

  • Molecular FormulaC19H27NO2S
  • Average mass333.488 Da
  • Monoisotopic mass333.176239 Da
  • ChemSpider ID29534805

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-(2-Methoxyethyl)-3-methyl-1-[(2-methyl-1-benzothiophen-3-yl)methyl]-4-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-4-(2-Methoxyethyl)-3-methyl-1-[(2-methyl-1-benzothiophen-3-yl)methyl]-4-piperidinol [ACD/IUPAC Name]
(3R,4R)-4-(2-Méthoxyéthyl)-3-méthyl-1-[(2-méthyl-1-benzothiophén-3-yl)méthyl]-4-pipéridinol [French] [ACD/IUPAC Name]
4-Piperidinol, 4-(2-methoxyethyl)-3-methyl-1-[(2-methylbenzo[b]thien-3-yl)methyl]-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-4-(2-methoxyethyl)-3-methyl-1-[(2-methyl-1-benzothien-3-yl)methyl]piperidin-4-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 471.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 239.0±27.3 °C
Index of Refraction: 1.593
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.54
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 38.44
ACD/KOC (pH 7.4): 219.33
Polar Surface Area: 61 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 291.5±3.0 cm3

Click to predict properties on the Chemicalize site


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