ChemSpider 2D Image | 2-[{6-(1,4'-Bipiperidin-1'-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}(butyl)amino]ethanol | C30H47N5O

2-[{6-(1,4'-Bipiperidin-1'-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}(butyl)amino]ethanol

  • Molecular FormulaC30H47N5O
  • Average mass493.727 Da
  • Monoisotopic mass493.378052 Da
  • ChemSpider ID121251686

More details:

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

2-[{6-(1,4'-Bipiperidin-1'-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}(butyl)amino]ethanol [German] [ACD/IUPAC Name]
2-[{6-(1,4'-Bipiperidin-1'-yl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}(butyl)amino]ethanol [ACD/IUPAC Name]
2-[{6-(1,4'-Bipipéridin-1'-yl)-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}(butyl)amino]éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[[6-[1,4'-bipiperidin]-1'-yl-2-[4-(1,1-dimethylethyl)phenyl]-4-pyrimidinyl]butylamino]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 593.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.5±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 4.13
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 472.62
ACD/KOC (pH 7.4): 1008.36
Polar Surface Area: 56 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 452.8±3.0 cm3

Click to predict properties on the Chemicalize site


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