ChemSpider 2D Image | 1-[1-(2-Methylbenzyl)-4-piperidinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-(3-pyridinylmethyl)methanamine | C25H33N5

1-[1-(2-Methylbenzyl)-4-piperidinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-(3-pyridinylmethyl)methanamine

  • Molecular FormulaC25H33N5
  • Average mass403.563 Da
  • Monoisotopic mass403.273590 Da
  • ChemSpider ID23057550

More details:

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

1-[1-(2-Methylbenzyl)-4-piperidinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-(3-pyridinylmethyl)methanamin [German] [ACD/IUPAC Name]
1-[1-(2-Methylbenzyl)-4-piperidinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-(3-pyridinylmethyl)methanamine [ACD/IUPAC Name]
1-[1-(2-Méthylbenzyl)-4-pipéridinyl]-N-[(1-méthyl-1H-pyrazol-4-yl)méthyl]-N-(3-pyridinylméthyl)méthanamine [French] [ACD/IUPAC Name]
3-Pyridinemethanamine, N-[[1-[(2-methylphenyl)methyl]-4-piperidinyl]methyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]- [ACD/Index Name]
({1-[(2-METHYLPHENYL)METHYL]PIPERIDIN-4-YL}METHYL)[(1-METHYLPYRAZOL-4-YL)METHYL](PYRIDIN-3-YLMETHYL)AMINE
[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]({1-[(2-METHYLPHENYL)METHYL]PIPERIDIN-4-YL}METHYL)[(PYRIDIN-3-YL)METHYL]AMINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 539.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 279.9±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 125.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 12.76
ACD/KOC (pH 7.4): 91.58
Polar Surface Area: 37 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 360.8±7.0 cm3

Click to predict properties on the Chemicalize site


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