ChemSpider 2D Image | 1-[4-Methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]-N-methyl-N-({1-[2-(2-methylphenyl)ethyl]-3-piperidinyl}methyl)methanamine | C28H38N4O

1-[4-Methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]-N-methyl-N-({1-[2-(2-methylphenyl)ethyl]-3-piperidinyl}methyl)methanamine

  • Molecular FormulaC28H38N4O
  • Average mass446.628 Da
  • Monoisotopic mass446.304565 Da
  • ChemSpider ID22142886

More details:

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

1-[4-Methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]-N-methyl-N-({1-[2-(2-methylphenyl)ethyl]-3-piperidinyl}methyl)methanamin [German] [ACD/IUPAC Name]
1-[4-Methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]-N-methyl-N-({1-[2-(2-methylphenyl)ethyl]-3-piperidinyl}methyl)methanamine [ACD/IUPAC Name]
1-[4-Méthoxy-3-(1H-pyrazol-1-ylméthyl)phényl]-N-méthyl-N-({1-[2-(2-méthylphényl)éthyl]-3-pipéridinyl}méthyl)méthanamine [French] [ACD/IUPAC Name]
3-Piperidinemethanamine, N-[[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]methyl]-N-methyl-1-[2-(2-methylphenyl)ethyl]- [ACD/Index Name]
({4-METHOXY-3-[(1H-PYRAZOL-1-YL)METHYL]PHENYL}METHYL)(METHYL)({1-[2-(2-METHYLPHENYL)ETHYL]PIPERIDIN-3-YL}METHYL)AMINE
{[4-METHOXY-3-(PYRAZOL-1-YLMETHYL)PHENYL]METHYL}(METHYL)({1-[2-(2-METHYLPHENYL)ETHYL]PIPERIDIN-3-YL}METHYL)AMINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 575.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.6±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 137.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 5.16
ACD/KOC (pH 7.4): 23.79
Polar Surface Area: 34 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 40.7±7.0 dyne/cm
Molar Volume: 409.8±7.0 cm3

Click to predict properties on the Chemicalize site


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