ChemSpider 2D Image | {6-(4-Fluorophenyl)-2-[3-(hydroxymethyl)-1-piperidinyl]-3-pyridinyl}{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}methanone | C31H35FN4O2

{6-(4-Fluorophenyl)-2-[3-(hydroxymethyl)-1-piperidinyl]-3-pyridinyl}{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}methanone

  • Molecular FormulaC31H35FN4O2
  • Average mass514.634 Da
  • Monoisotopic mass514.274414 Da
  • ChemSpider ID23040799

  • Double-bond stereo - Double-bond stereo

More details:

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

{6-(4-Fluorophenyl)-2-[3-(hydroxymethyl)-1-piperidinyl]-3-pyridinyl}{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}methanone [ACD/IUPAC Name]
{6-(4-Fluorophényl)-2-[3-(hydroxyméthyl)-1-pipéridinyl]-3-pyridinyl}{4-[(2E)-3-phényl-2-propén-1-yl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
{6-(4-Fluorphenyl)-2-[3-(hydroxymethyl)-1-piperidinyl]-3-pyridinyl}{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
Methanone, [6-(4-fluorophenyl)-2-[3-(hydroxymethyl)-1-piperidinyl]-3-pyridinyl][4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl]- [ACD/Index Name]
{1-[6-(4-fluorophenyl)-3-({4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}carbonyl)-2-pyridinyl]-3-piperidinyl}methanol
{1-[6-(4-FLUOROPHENYL)-3-{4-[(2E)-3-PHENYLPROP-2-EN-1-YL]PIPERAZINE-1-CARBONYL}PYRIDIN-2-YL]PIPERIDIN-3-YL}METHANOL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.9±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 11.89
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 205.50
ACD/KOC (pH 7.4): 1419.65
Polar Surface Area: 60 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 425.6±3.0 cm3

Click to predict properties on the Chemicalize site


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