ChemSpider 2D Image | 1-[3-({[(1-Cyclohexyl-3-piperidinyl)methyl](3-pyridinylmethyl)amino}methyl)phenyl]ethanone | C27H37N3O

1-[3-({[(1-Cyclohexyl-3-piperidinyl)methyl](3-pyridinylmethyl)amino}methyl)phenyl]ethanone

  • Molecular FormulaC27H37N3O
  • Average mass419.602 Da
  • Monoisotopic mass419.293671 Da
  • ChemSpider ID29422065

More details:

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

1-[3-({[(1-Cyclohexyl-3-piperidinyl)methyl](3-pyridinylmethyl)amino}methyl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[3-({[(1-Cyclohexyl-3-piperidinyl)methyl](3-pyridinylmethyl)amino}methyl)phenyl]ethanone [ACD/IUPAC Name]
1-[3-({[(1-Cyclohexyl-3-pipéridinyl)méthyl](3-pyridinylméthyl)amino}méthyl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3-[[[(1-cyclohexyl-3-piperidinyl)methyl](3-pyridinylmethyl)amino]methyl]phenyl]- [ACD/Index Name]
1-(3-{[[(1-cyclohexyl-3-piperidinyl)methyl](3-pyridinylmethyl)amino]methyl}phenyl)ethanone
1-[3-({[(1-CYCLOHEXYLPIPERIDIN-3-YL)METHYL](PYRIDIN-3-YLMETHYL)AMINO}METHYL)PHENYL]ETHANONE
1-[3-({[(1-CYCLOHEXYLPIPERIDIN-3-YL)METHYL][(PYRIDIN-3-YL)METHYL]AMINO}METHYL)PHENYL]ETHAN-1-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.3±27.3 °C
Index of Refraction: 1.574
Molar Refractivity: 127.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 8.74
ACD/KOC (pH 7.4): 37.31
Polar Surface Area: 36 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 385.1±3.0 cm3

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