ChemSpider 2D Image | 3-{1-[(2'-Methyl-3-biphenylyl)methyl]-3-piperidinyl}-1-(1-pyrrolidinyl)-1-propanone | C26H34N2O

3-{1-[(2'-Methyl-3-biphenylyl)methyl]-3-piperidinyl}-1-(1-pyrrolidinyl)-1-propanone

  • Molecular FormulaC26H34N2O
  • Average mass390.561 Da
  • Monoisotopic mass390.267120 Da
  • ChemSpider ID22229831

More details:






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

1-Propanone, 3-[1-[(2'-methyl[1,1'-biphenyl]-3-yl)methyl]-3-piperidinyl]-1-(1-pyrrolidinyl)- [ACD/Index Name]
3-{1-[(2'-Methyl-3-biphenylyl)methyl]-3-piperidinyl}-1-(1-pyrrolidinyl)-1-propanon [German] [ACD/IUPAC Name]
3-{1-[(2'-Methyl-3-biphenylyl)methyl]-3-piperidinyl}-1-(1-pyrrolidinyl)-1-propanone [ACD/IUPAC Name]
3-{1-[(2'-Méthyl-3-biphénylyl)méthyl]-3-pipéridinyl}-1-(1-pyrrolidinyl)-1-propanone [French] [ACD/IUPAC Name]
1-[(2'-methyl-3-biphenylyl)methyl]-3-[3-oxo-3-(1-pyrrolidinyl)propyl]piperidine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 541.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 218.2±16.9 °C
Index of Refraction: 1.574
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 5.75
ACD/KOC (pH 5.5): 17.48
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 123.10
ACD/KOC (pH 7.4): 374.20
Polar Surface Area: 24 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 360.9±3.0 cm3

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