ChemSpider 2D Image | (3S)-1-(1-Methyl-1H-benzimidazol-2-yl)-3-piperidinol | C13H17N3O

(3S)-1-(1-Methyl-1H-benzimidazol-2-yl)-3-piperidinol

  • Molecular FormulaC13H17N3O
  • Average mass231.294 Da
  • Monoisotopic mass231.137161 Da
  • ChemSpider ID32805922

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-(1-Methyl-1H-benzimidazol-2-yl)-3-piperidinol [German] [ACD/IUPAC Name]
(3S)-1-(1-Methyl-1H-benzimidazol-2-yl)-3-piperidinol [ACD/IUPAC Name]
(3S)-1-(1-Méthyl-1H-benzimidazol-2-yl)-3-pipéridinol [French] [ACD/IUPAC Name]
3-Piperidinol, 1-(1-methyl-1H-benzimidazol-2-yl)-, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 426.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 211.5±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 66.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.33
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 4.68
ACD/KOC (pH 7.4): 81.49
Polar Surface Area: 41 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 179.1±7.0 cm3

Click to predict properties on the Chemicalize site


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