ChemSpider 2D Image | 5-{[4-(3-Methylbenzyl)-1-piperazinyl]methyl}-2-(1-piperidinyl)pyrimidine | C22H31N5

5-{[4-(3-Methylbenzyl)-1-piperazinyl]methyl}-2-(1-piperidinyl)pyrimidine

  • Molecular FormulaC22H31N5
  • Average mass365.515 Da
  • Monoisotopic mass365.257935 Da
  • ChemSpider ID29448863

More details:

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

5-{[4-(3-Methylbenzyl)-1-piperazinyl]methyl}-2-(1-piperidinyl)pyrimidin [German] [ACD/IUPAC Name]
5-{[4-(3-Methylbenzyl)-1-piperazinyl]methyl}-2-(1-piperidinyl)pyrimidine [ACD/IUPAC Name]
5-{[4-(3-Méthylbenzyl)-1-pipérazinyl]méthyl}-2-(1-pipéridinyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 5-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]methyl]-2-(1-piperidinyl)- [ACD/Index Name]
5-({4-[(3-METHYLPHENYL)METHYL]PIPERAZIN-1-YL}METHYL)-2-(PIPERIDIN-1-YL)PYRIMIDINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 526.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.4±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 7.76
ACD/KOC (pH 5.5): 58.78
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 171.73
ACD/KOC (pH 7.4): 1300.11
Polar Surface Area: 36 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 320.2±3.0 cm3

Click to predict properties on the Chemicalize site


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