ChemSpider 2D Image | 1-{[5-(cis-3-Aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(hydroxymethyl)-4-piperidinol | C16H29N5O3

1-{[5-(cis-3-Aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(hydroxymethyl)-4-piperidinol

  • Molecular FormulaC16H29N5O3
  • Average mass339.433 Da
  • Monoisotopic mass339.227051 Da
  • ChemSpider ID35051254

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{[5-(cis-3-Aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(hydroxymethyl)-4-piperidinol [German] [ACD/IUPAC Name]
1-{[5-(cis-3-Aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(hydroxymethyl)-4-piperidinol [ACD/IUPAC Name]
1-{[5-(cis-3-Aminocyclobutyl)-4-(2-méthoxyéthyl)-4H-1,2,4-triazol-3-yl]méthyl}-4-(hydroxyméthyl)-4-pipéridinol [French] [ACD/IUPAC Name]
4-Piperidinemethanol, 1-[[5-(cis-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl]-4-hydroxy- [ACD/Index Name]
1-{[5-(cis-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(hydroxymethyl)piperidin-4-ol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 580.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 304.8±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 88.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -2.01
ACD/LogD (pH 5.5): -4.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 238.0±7.0 cm3

Click to predict properties on the Chemicalize site


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