ChemSpider 2D Image | 2-[1-(1-Isopropyl-4-piperidinyl)-4-{[2-(3-methylphenyl)-5-pyrimidinyl]methyl}-2-piperazinyl]ethanol | C26H39N5O

2-[1-(1-Isopropyl-4-piperidinyl)-4-{[2-(3-methylphenyl)-5-pyrimidinyl]methyl}-2-piperazinyl]ethanol

  • Molecular FormulaC26H39N5O
  • Average mass437.621 Da
  • Monoisotopic mass437.315460 Da
  • ChemSpider ID22129226

More details:

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

2-[1-(1-Isopropyl-4-piperidinyl)-4-{[2-(3-methylphenyl)-5-pyrimidinyl]methyl}-2-piperazinyl]ethanol [ACD/IUPAC Name]
2-[1-(1-Isopropyl-4-piperidinyl)-4-{[2-(3-methylphenyl)-5-pyrimidinyl]methyl}-2-piperazinyl]ethanol [German] [ACD/IUPAC Name]
2-[1-(1-Isopropyl-4-pipéridinyl)-4-{[2-(3-méthylphényl)-5-pyrimidinyl]méthyl}-2-pipérazinyl]éthanol [French] [ACD/IUPAC Name]
2-Piperazineethanol, 1-[1-(1-methylethyl)-4-piperidinyl]-4-[[2-(3-methylphenyl)-5-pyrimidinyl]methyl]- [ACD/Index Name]
2-(1-(1-isopropyl-4-piperidinyl)-4-{[2-(3-methylphenyl)-5-pyrimidinyl]methyl}-2-piperazinyl)ethanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 529.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.7±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.36
Polar Surface Area: 56 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 393.2±3.0 cm3

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