ChemSpider 2D Image | (3'R,4'R)-1'-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-1,4'-bipiperidine-3',4-diol | C18H25ClN2O4

(3'R,4'R)-1'-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-1,4'-bipiperidine-3',4-diol

  • Molecular FormulaC18H25ClN2O4
  • Average mass368.855 Da
  • Monoisotopic mass368.150299 Da
  • ChemSpider ID22866911

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3'R,4'R)-1'-[(6-Chlor-1,3-benzodioxol-5-yl)methyl]-1,4'-bipiperidin-3',4-diol [German] [ACD/IUPAC Name]
(3'R,4'R)-1'-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-1,4'-bipiperidine-3',4-diol [ACD/IUPAC Name]
(3'R,4'R)-1'-[(6-Chloro-1,3-benzodioxol-5-yl)méthyl]-1,4'-bipipéridine-3',4-diol [French] [ACD/IUPAC Name]
[1,4'-Bipiperidine]-3',4-diol, 1'-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-, (3'R,4'R)- [ACD/Index Name]
(3'R*,4'R*)-1'-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,4'-bipiperidine-3',4-diol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 528.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.5±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.10
Polar Surface Area: 65 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 264.1±3.0 cm3

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