ChemSpider 2D Image | 1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-N-{[1-(2-methylbenzyl)-4-piperidinyl]methyl}-N-(3-pyridinylmethyl)methanamine | C28H41N3O

1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-N-{[1-(2-methylbenzyl)-4-piperidinyl]methyl}-N-(3-pyridinylmethyl)methanamine

  • Molecular FormulaC28H41N3O
  • Average mass435.645 Da
  • Monoisotopic mass435.324951 Da
  • ChemSpider ID23050535

More details:

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

1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-N-{[1-(2-methylbenzyl)-4-piperidinyl]methyl}-N-(3-pyridinylmethyl)methanamin [German] [ACD/IUPAC Name]
1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-N-{[1-(2-methylbenzyl)-4-piperidinyl]methyl}-N-(3-pyridinylmethyl)methanamine [ACD/IUPAC Name]
1-(2,2-Diméthyltétrahydro-2H-pyran-4-yl)-N-{[1-(2-méthylbenzyl)-4-pipéridinyl]méthyl}-N-(3-pyridinylméthyl)méthanamine [French] [ACD/IUPAC Name]
3-Pyridinemethanamine, N-[[1-[(2-methylphenyl)methyl]-4-piperidinyl]methyl]-N-[(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)methyl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 541.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.3±25.9 °C
Index of Refraction: 1.547
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 69.83
ACD/KOC (pH 7.4): 275.74
Polar Surface Area: 29 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 419.3±3.0 cm3

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