ChemSpider 2D Image | 1-(6-{4-[4-(2-Methyl-2-propanyl)benzyl]-1-piperidinyl}-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl)-4-piperidinol | C35H48N4O

1-(6-{4-[4-(2-Methyl-2-propanyl)benzyl]-1-piperidinyl}-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl)-4-piperidinol

  • Molecular FormulaC35H48N4O
  • Average mass540.782 Da
  • Monoisotopic mass540.382813 Da
  • ChemSpider ID121984763

More details:

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

1-(6-{4-[4-(2-Methyl-2-propanyl)benzyl]-1-piperidinyl}-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl)-4-piperidinol [German] [ACD/IUPAC Name]
1-(6-{4-[4-(2-Methyl-2-propanyl)benzyl]-1-piperidinyl}-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl)-4-piperidinol [ACD/IUPAC Name]
1-(6-{4-[4-(2-Méthyl-2-propanyl)benzyl]-1-pipéridinyl}-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl)-4-pipéridinol [French] [ACD/IUPAC Name]
4-Piperidinol, 1-[2-[4-(1,1-dimethylethyl)phenyl]-6-[4-[[4-(1,1-dimethylethyl)phenyl]methyl]-1-piperidinyl]-4-pyrimidinyl]- [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: 637.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 339.2±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 164.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.74
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 1084.35
ACD/KOC (pH 5.5): 1008.65
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 1149.55
ACD/KOC (pH 7.4): 1069.30
Polar Surface Area: 52 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 494.4±3.0 cm3

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