ChemSpider 2D Image | 2-{[4-(1-{[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino}-2-phenylethyl)-1-piperidinyl]methyl}-3-methoxyphenol | C28H38N4O2

2-{[4-(1-{[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino}-2-phenylethyl)-1-piperidinyl]methyl}-3-methoxyphenol

  • Molecular FormulaC28H38N4O2
  • Average mass462.627 Da
  • Monoisotopic mass462.299469 Da
  • ChemSpider ID22119007

More details:

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

2-{[4-(1-{[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino}-2-phenylethyl)-1-piperidinyl]methyl}-3-methoxyphenol [ACD/IUPAC Name]
2-{[4-(1-{[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino}-2-phenylethyl)-1-piperidinyl]methyl}-3-methoxyphenol [German] [ACD/IUPAC Name]
2-{[4-(1-{[(1,3-Diméthyl-1H-pyrazol-4-yl)méthyl](méthyl)amino}-2-phényléthyl)-1-pipéridinyl]méthyl}-3-méthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 2-[[4-[1-[[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]methylamino]-2-phenylethyl]-1-piperidinyl]methyl]-3-methoxy- [ACD/Index Name]
2-[(4-{1-[[(1,3-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]-2-phenylethyl}-1-piperidinyl)methyl]-3-methoxyphenol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 599.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 316.2±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 137.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 12.24
ACD/KOC (pH 7.4): 63.71
Polar Surface Area: 54 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 406.2±7.0 cm3

Click to predict properties on the Chemicalize site


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