ChemSpider 2D Image | 4-[(3R)-1-Propyl-3-piperidinyl]-1,2-benzenediol | C14H21NO2

4-[(3R)-1-Propyl-3-piperidinyl]-1,2-benzenediol

  • Molecular FormulaC14H21NO2
  • Average mass235.322 Da
  • Monoisotopic mass235.157227 Da
  • ChemSpider ID28484847
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1,2-Benzenediol, 4-[(3R)-1-propyl-3-piperidinyl]- [ACD/Index Name]
4-[(3R)-1-Propyl-3-piperidinyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(3R)-1-Propyl-3-pipéridinyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(3R)-1-Propyl-3-piperidinyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 381.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 190.3±26.5 °C
Index of Refraction: 1.560
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.47
Polar Surface Area: 44 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 212.6±3.0 cm3

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