ChemSpider 2D Image | (3R,4R)-4-(1-Azepanyl)-1-(cyclohexylmethyl)-3-piperidinol | C18H34N2O

(3R,4R)-4-(1-Azepanyl)-1-(cyclohexylmethyl)-3-piperidinol

  • Molecular FormulaC18H34N2O
  • Average mass294.475 Da
  • Monoisotopic mass294.267120 Da
  • ChemSpider ID23045858

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-(1-Azepanyl)-1-(cyclohexylmethyl)-3-piperidinol [ACD/IUPAC Name]
(3R,4R)-4-(1-Azepanyl)-1-(cyclohexylmethyl)-3-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-4-(1-Azépanyl)-1-(cyclohexylméthyl)-3-pipéridinol [French] [ACD/IUPAC Name]
3-Piperidinol, 1-(cyclohexylmethyl)-4-(hexahydro-1H-azepin-1-yl)-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-4-(1-azepanyl)-1-(cyclohexylmethyl)-3-piperidinol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 410.5±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.6±6.0 kJ/mol
Flash Point: 179.9±18.2 °C
Index of Refraction: 1.532
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 1.77
ACD/KOC (pH 7.4): 10.43
Polar Surface Area: 27 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 283.5±3.0 cm3

Click to predict properties on the Chemicalize site


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