ChemSpider 2D Image | 1-{6,7-Dimethoxy-1-[1-(6-methoxy-2-naphthyl)ethyl]-2(1H)-isoquinolinyl}-1-(1-piperidinyl)ethanol | C31H38N2O4

1-{6,7-Dimethoxy-1-[1-(6-methoxy-2-naphthyl)ethyl]-2(1H)-isoquinolinyl}-1-(1-piperidinyl)ethanol

  • Molecular FormulaC31H38N2O4
  • Average mass502.644 Da
  • Monoisotopic mass502.283173 Da
  • ChemSpider ID2300145

More details:

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

1-{6,7-Dimethoxy-1-[1-(6-methoxy-2-naphthyl)ethyl]-2(1H)-isochinolinyl}-1-(1-piperidinyl)ethanol [German] [ACD/IUPAC Name]
1-{6,7-Dimethoxy-1-[1-(6-methoxy-2-naphthyl)ethyl]-2(1H)-isoquinolinyl}-1-(1-piperidinyl)ethanol [ACD/IUPAC Name]
1-{6,7-Diméthoxy-1-[1-(6-méthoxy-2-naphtyl)éthyl]-2(1H)-isoquinoléinyl}-1-(1-pipéridinyl)éthanol [French] [ACD/IUPAC Name]
2(1H)-Isoquinolinemethanol, 6,7-dimethoxy-1-[1-(6-methoxy-2-naphthalenyl)ethyl]-α-methyl-α-1-piperidinyl- [ACD/Index Name]
1-(1-(6-Methoxynaphth-2-yl))propyl-2-(1-piperidine)acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
132836-32-9 [RN]

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

Cpu 23 [DBID]
Cpu-23 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.6±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 148.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.75
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 58.74
ACD/KOC (pH 5.5): 87.08
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 521.72
ACD/KOC (pH 7.4): 773.47
Polar Surface Area: 54 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 423.1±3.0 cm3

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