ChemSpider 2D Image | (3R,4R)-1-{3-Chloro-4-[(4-chlorobenzyl)oxy]benzyl}-3-(hydroxymethyl)-3-propyl-4-piperidinol | C23H29Cl2NO3

(3R,4R)-1-{3-Chloro-4-[(4-chlorobenzyl)oxy]benzyl}-3-(hydroxymethyl)-3-propyl-4-piperidinol

  • Molecular FormulaC23H29Cl2NO3
  • Average mass438.387 Da
  • Monoisotopic mass437.152435 Da
  • ChemSpider ID70966805

  • 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-[(4-chlorbenzyl)oxy]benzyl}-3-(hydroxymethyl)-3-propyl-4-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-1-{3-Chloro-4-[(4-chlorobenzyl)oxy]benzyl}-3-(hydroxymethyl)-3-propyl-4-piperidinol [ACD/IUPAC Name]
(3R,4R)-1-{3-Chloro-4-[(4-chlorobenzyl)oxy]benzyl}-3-(hydroxyméthyl)-3-propyl-4-pipéridinol [French] [ACD/IUPAC Name]
3-Piperidinemethanol, 1-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-hydroxy-3-propyl-, (3R,4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 562.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 294.0±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 4.64
ACD/KOC (pH 5.5): 20.73
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 235.57
ACD/KOC (pH 7.4): 1052.35
Polar Surface Area: 53 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 352.5±3.0 cm3

Click to predict properties on the Chemicalize site


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