ChemSpider 2D Image | 1-(2,1,3-Benzoxadiazol-5-yl)-N-[(1-cyclohexyl-3-piperidinyl)methyl]-N-(3-pyridinylmethyl)methanamine | C25H33N5O

1-(2,1,3-Benzoxadiazol-5-yl)-N-[(1-cyclohexyl-3-piperidinyl)methyl]-N-(3-pyridinylmethyl)methanamine

  • Molecular FormulaC25H33N5O
  • Average mass419.562 Da
  • Monoisotopic mass419.268524 Da
  • ChemSpider ID22227051

More details:

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

1-(2,1,3-Benzoxadiazol-5-yl)-N-[(1-cyclohexyl-3-piperidinyl)methyl]-N-(3-pyridinylmethyl)methanamin [German] [ACD/IUPAC Name]
1-(2,1,3-Benzoxadiazol-5-yl)-N-[(1-cyclohexyl-3-piperidinyl)methyl]-N-(3-pyridinylmethyl)methanamine [ACD/IUPAC Name]
1-(2,1,3-Benzoxadiazol-5-yl)-N-[(1-cyclohexyl-3-pipéridinyl)méthyl]-N-(3-pyridinylméthyl)méthanamine [French] [ACD/IUPAC Name]
2,1,3-Benzoxadiazole-5-methanamine, N-[(1-cyclohexyl-3-piperidinyl)methyl]-N-(3-pyridinylmethyl)- [ACD/Index Name]
(2,1,3-benzoxadiazol-5-ylmethyl)[(1-cyclohexyl-3-piperidinyl)methyl](3-pyridinylmethyl)amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 545.3±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.6±32.3 °C
Index of Refraction: 1.608
Molar Refractivity: 123.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.19
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 5.81
ACD/KOC (pH 7.4): 28.52
Polar Surface Area: 58 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 356.9±3.0 cm3

Click to predict properties on the Chemicalize site


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