ChemSpider 2D Image | {2-[(3s,5s,7s)-Adamantan-1-yl]-6,8-dichloro-4-quinolinyl}(2-piperidinyl)methanol | C25H30Cl2N2O

{2-[(3s,5s,7s)-Adamantan-1-yl]-6,8-dichloro-4-quinolinyl}(2-piperidinyl)methanol

  • Molecular FormulaC25H30Cl2N2O
  • Average mass445.424 Da
  • Monoisotopic mass444.173523 Da
  • ChemSpider ID115011390

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

{2-[(3s,5s,7s)-Adamantan-1-yl]-6,8-dichlor-4-chinolinyl}(2-piperidinyl)methanol [German] [ACD/IUPAC Name]
{2-[(3s,5s,7s)-Adamantan-1-yl]-6,8-dichloro-4-quinoléinyl}(2-pipéridinyl)méthanol [French] [ACD/IUPAC Name]
{2-[(3s,5s,7s)-Adamantan-1-yl]-6,8-dichloro-4-quinolinyl}(2-piperidinyl)methanol [ACD/IUPAC Name]
4-Quinolinemethanol, 6,8-dichloro-α-2-piperidinyl-2-tricyclo[3.3.1.13,7]dec-1-yl- [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: 597.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.0±28.7 °C
Index of Refraction: 1.646
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 12.49
ACD/KOC (pH 5.5): 29.83
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 216.13
ACD/KOC (pH 7.4): 516.41
Polar Surface Area: 45 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 339.2±3.0 cm3

Click to predict properties on the Chemicalize site


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