ChemSpider 2D Image | 1-[(4-Isopropyl-4H-1,2,4-triazol-3-yl)methyl]-1'-(3-methyl-2-buten-1-yl)-4,4'-bipiperidine | C21H37N5

1-[(4-Isopropyl-4H-1,2,4-triazol-3-yl)methyl]-1'-(3-methyl-2-buten-1-yl)-4,4'-bipiperidine

  • Molecular FormulaC21H37N5
  • Average mass359.552 Da
  • Monoisotopic mass359.304901 Da
  • ChemSpider ID103849647

More details:

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

1-[(4-Isopropyl-4H-1,2,4-triazol-3-yl)methyl]-1'-(3-methyl-2-buten-1-yl)-4,4'-bipiperidin [German] [ACD/IUPAC Name]
1-[(4-Isopropyl-4H-1,2,4-triazol-3-yl)methyl]-1'-(3-methyl-2-buten-1-yl)-4,4'-bipiperidine [ACD/IUPAC Name]
1-[(4-Isopropyl-4H-1,2,4-triazol-3-yl)méthyl]-1'-(3-méthyl-2-butén-1-yl)-4,4'-bipipéridine [French] [ACD/IUPAC Name]
4,4'-Bipiperidine, 1-(3-methyl-2-buten-1-yl)-1'-[[4-(1-methylethyl)-4H-1,2,4-triazol-3-yl]methyl]- [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: 485.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.7±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 108.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 4.69
ACD/KOC (pH 7.4): 30.75
Polar Surface Area: 37 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 39.9±7.0 dyne/cm
Molar Volume: 323.3±7.0 cm3

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