ChemSpider 2D Image | (3R)-1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4'-bipiperidine-3-carboxylic acid | C16H28N2O4

(3R)-1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4'-bipiperidine-3-carboxylic acid

  • Molecular FormulaC16H28N2O4
  • Average mass312.405 Da
  • Monoisotopic mass312.204895 Da
  • ChemSpider ID62918593
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4'-bipiperidin-3-carbonsäure [German] [ACD/IUPAC Name]
(3R)-1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4'-bipiperidine-3-carboxylic acid [ACD/IUPAC Name]
[1,4'-Bipiperidine]-1',3-dicarboxylic acid, 1'-(1,1-dimethylethyl) ester, (3R)- [ACD/Index Name]
Acide (3R)-1'-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,4'-bipipéridine-3-carboxylique [French] [ACD/IUPAC Name]
950686-59-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 442.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±6.0 kJ/mol
Flash Point: 221.2±28.7 °C
Index of Refraction: 1.525
Molar Refractivity: 82.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 268.1±3.0 cm3

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