ChemSpider 2D Image | 1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-6-oxo-1,4'-bipiperidine-3-carboxylic acid | C16H26N2O5

1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-6-oxo-1,4'-bipiperidine-3-carboxylic acid

  • Molecular FormulaC16H26N2O5
  • Average mass326.388 Da
  • Monoisotopic mass326.184174 Da
  • ChemSpider ID44254515

More details:

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

[1,4'-Bipiperidine]-1',3-dicarboxylic acid, 6-oxo-, 1'-(1,1-dimethylethyl) ester [ACD/Index Name]
1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-6-oxo-1,4'-bipiperidin-3-carbonsäure [German] [ACD/IUPAC Name]
1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-6-oxo-1,4'-bipiperidine-3-carboxylic acid [ACD/IUPAC Name]
Acide 1'-{[(2-méthyl-2-propanyl)oxy]carbonyl}-6-oxo-1,4'-bipipéridine-3-carboxylique [French] [ACD/IUPAC Name]
1'-(tert-Butoxycarbonyl)-6-oxo-[1,4'-bipiperidine]-3-carboxylic acid
1951444-67-9 [RN]
6-OXO-[1,4']BIPIPERIDINYL-3,1'-DICARBOXYLIC ACID 1'-TERT-BUTYL ESTER
atoms 23 bonds 24
MFCD29035208

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

Density: 1.2±0.1 g/cm3
Boiling Point: 513.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 85.9±6.0 kJ/mol
Flash Point: 264.5±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 82.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.42
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 264.6±3.0 cm3

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