ChemSpider 2D Image | (3R,4R)-1'-(3-Chloro-4-methylphenyl)-4-(2-methoxyethyl)-3-methyl-1,4'-bipiperidin-4-ol | C21H33ClN2O2

(3R,4R)-1'-(3-Chloro-4-methylphenyl)-4-(2-methoxyethyl)-3-methyl-1,4'-bipiperidin-4-ol

  • Molecular FormulaC21H33ClN2O2
  • Average mass380.952 Da
  • Monoisotopic mass380.223053 Da
  • ChemSpider ID29728842

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-1'-(3-Chlor-4-methylphenyl)-4-(2-methoxyethyl)-3-methyl-1,4'-bipiperidin-4-ol [German] [ACD/IUPAC Name]
(3R,4R)-1'-(3-Chloro-4-methylphenyl)-4-(2-methoxyethyl)-3-methyl-1,4'-bipiperidin-4-ol [ACD/IUPAC Name]
(3R,4R)-1'-(3-Chloro-4-méthylphényl)-4-(2-méthoxyéthyl)-3-méthyl-1,4'-bipipéridin-4-ol [French] [ACD/IUPAC Name]
[1,4'-Bipiperidin]-4-ol, 1'-(3-chloro-4-methylphenyl)-4-(2-methoxyethyl)-3-methyl-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-1'-(3-chloro-4-methylphenyl)-4-(2-methoxyethyl)-3-methyl-1,4'-bipiperidin-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: 508.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 261.2±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.11
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 22.65
ACD/KOC (pH 7.4): 134.18
Polar Surface Area: 36 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 336.9±3.0 cm3

Click to predict properties on the Chemicalize site


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