ChemSpider 2D Image | 2-(2-(4-Aminopiperidin-1-yl)-2-phenylethoxy)benzonitrile | C20H23N3O

2-(2-(4-Aminopiperidin-1-yl)-2-phenylethoxy)benzonitrile

  • Molecular FormulaC20H23N3O
  • Average mass321.416 Da
  • Monoisotopic mass321.184113 Da
  • ChemSpider ID28424845

More details:

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

1227269-43-3 [RN]
2-(2-(4-Aminopiperidin-1-yl)-2-phenylethoxy)benzonitrile
2-[2-(4-Amino-1-piperidinyl)-2-phenylethoxy]benzonitril [German] [ACD/IUPAC Name]
2-[2-(4-Amino-1-piperidinyl)-2-phenylethoxy]benzonitrile [ACD/IUPAC Name]
2-[2-(4-Amino-1-pipéridinyl)-2-phényléthoxy]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[2-(4-amino-1-piperidinyl)-2-phenylethoxy]- [ACD/Index Name]
[1227269-43-3] [RN]
2-[2-(4-Aminopiperidin-1-yl)-2-phenylethoxy]benzonitrile
2-[2-(4-Aminopiperidin-1-yl)-2-phenylethoxy]-benzonitrile
2-[2-(4-Amino-piperidin-1-yl)-2-phenyl-ethoxy]-benzonitrile
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 500.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.5±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.96
Polar Surface Area: 62 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 272.9±5.0 cm3

Click to predict properties on the Chemicalize site


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