ChemSpider 2D Image | N-(3,5-Difluoro-4-methoxybenzyl)-1-(2-isopropyl-6-methyl-4-pyrimidinyl)-4-piperidinamine | C21H28F2N4O

N-(3,5-Difluoro-4-methoxybenzyl)-1-(2-isopropyl-6-methyl-4-pyrimidinyl)-4-piperidinamine

  • Molecular FormulaC21H28F2N4O
  • Average mass390.470 Da
  • Monoisotopic mass390.223114 Da
  • ChemSpider ID30921113

More details:

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

4-Piperidinamine, N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl]- [ACD/Index Name]
N-(3,5-Difluor-4-methoxybenzyl)-1-(2-isopropyl-6-methyl-4-pyrimidinyl)-4-piperidinamin [German] [ACD/IUPAC Name]
N-(3,5-Difluoro-4-methoxybenzyl)-1-(2-isopropyl-6-methyl-4-pyrimidinyl)-4-piperidinamine [ACD/IUPAC Name]
N-(3,5-Difluoro-4-méthoxybenzyl)-1-(2-isopropyl-6-méthyl-4-pyrimidinyl)-4-pipéridinamine [French] [ACD/IUPAC Name]
N-(3,5-difluoro-4-methoxybenzyl)-1-(2-isopropyl-6-methylpyrimidin-4-yl)piperidin-4-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: 508.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.4±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 6.37
ACD/KOC (pH 7.4): 38.16
Polar Surface Area: 50 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 325.7±5.0 cm3

Click to predict properties on the Chemicalize site


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