ChemSpider 2D Image | 1-({5-[1-(2-Hydroxyethyl)-4-piperidinyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-4-piperidinol | C16H29N5O2

1-({5-[1-(2-Hydroxyethyl)-4-piperidinyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-4-piperidinol

  • Molecular FormulaC16H29N5O2
  • Average mass323.434 Da
  • Monoisotopic mass323.232117 Da
  • ChemSpider ID29491810

More details:

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

1-({5-[1-(2-Hydroxyethyl)-4-piperidinyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-4-piperidinol [German] [ACD/IUPAC Name]
1-({5-[1-(2-Hydroxyethyl)-4-piperidinyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-4-piperidinol [ACD/IUPAC Name]
1-({5-[1-(2-Hydroxyéthyl)-4-pipéridinyl]-4-méthyl-4H-1,2,4-triazol-3-yl}méthyl)-4-pipéridinol [French] [ACD/IUPAC Name]
1-Piperidineethanol, 4-[5-[(4-hydroxy-1-piperidinyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]
1-({5-[1-(2-hydroxyethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)piperidin-4-ol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 294.9±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 88.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -3.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.23
Polar Surface Area: 78 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 240.1±7.0 cm3

Click to predict properties on the Chemicalize site


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