ChemSpider 2D Image | 1-(2,1,3-Benzoxadiazol-5-yl)-N-({1-[2-(4-chlorophenyl)ethyl]-4-piperidinyl}methyl)-N-methylmethanamine | C22H27ClN4O

1-(2,1,3-Benzoxadiazol-5-yl)-N-({1-[2-(4-chlorophenyl)ethyl]-4-piperidinyl}methyl)-N-methylmethanamine

  • Molecular FormulaC22H27ClN4O
  • Average mass398.929 Da
  • Monoisotopic mass398.187347 Da
  • ChemSpider ID22175453

More details:

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

1-(2,1,3-Benzoxadiazol-5-yl)-N-({1-[2-(4-chlorophenyl)ethyl]-4-piperidinyl}methyl)-N-methylmethanamine [ACD/IUPAC Name]
1-(2,1,3-Benzoxadiazol-5-yl)-N-({1-[2-(4-chlorophényl)éthyl]-4-pipéridinyl}méthyl)-N-méthylméthanamine [French] [ACD/IUPAC Name]
1-(2,1,3-Benzoxadiazol-5-yl)-N-({1-[2-(4-chlorphenyl)ethyl]-4-piperidinyl}methyl)-N-methylmethanamin [German] [ACD/IUPAC Name]
2,1,3-Benzoxadiazole-5-methanamine, N-[[1-[2-(4-chlorophenyl)ethyl]-4-piperidinyl]methyl]-N-methyl- [ACD/Index Name]
(2,1,3-benzoxadiazol-5-ylmethyl)({1-[2-(4-chlorophenyl)ethyl]-4-piperidinyl}methyl)methylamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 499.5±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 255.9±30.9 °C
Index of Refraction: 1.599
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 31.88
ACD/KOC (pH 7.4): 123.59
Polar Surface Area: 45 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 333.1±3.0 cm3

Click to predict properties on the Chemicalize site


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