ChemSpider 2D Image | (4,6-Dimethyl-5-pyrimidinyl)(4-{(3S)-4-[(R)-[1-(4-methoxybenzyl)-4-piperidinyl](phenyl)methyl]-3-methyl-1-piperazinyl}-4-methyl-1-piperidinyl)methanone | C38H52N6O2

(4,6-Dimethyl-5-pyrimidinyl)(4-{(3S)-4-[(R)-[1-(4-methoxybenzyl)-4-piperidinyl](phenyl)methyl]-3-methyl-1-piperazinyl}-4-methyl-1-piperidinyl)methanone

  • Molecular FormulaC38H52N6O2
  • Average mass624.859 Da
  • Monoisotopic mass624.415161 Da
  • ChemSpider ID8458158

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4,6-Dimethyl-5-pyrimidinyl)(4-{(3S)-4-[(R)-[1-(4-methoxybenzyl)-4-piperidinyl](phenyl)methyl]-3-methyl-1-piperazinyl}-4-methyl-1-piperidinyl)methanon [German] [ACD/IUPAC Name]
(4,6-Dimethyl-5-pyrimidinyl)(4-{(3S)-4-[(R)-[1-(4-methoxybenzyl)-4-piperidinyl](phenyl)methyl]-3-methyl-1-piperazinyl}-4-methyl-1-piperidinyl)methanone [ACD/IUPAC Name]
(4,6-Diméthyl-5-pyrimidinyl)(4-{(3S)-4-[(R)-[1-(4-méthoxybenzyl)-4-pipéridinyl](phényl)méthyl]-3-méthyl-1-pipérazinyl}-4-méthyl-1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, (4,6-dimethyl-5-pyrimidinyl)[4-[(3S)-4-[(R)-[1-[(4-methoxyphenyl)methyl]-4-piperidinyl]phenylmethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 738.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.1±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 184.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 18.85
ACD/KOC (pH 7.4): 87.84
Polar Surface Area: 65 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 545.6±3.0 cm3

Click to predict properties on the Chemicalize site


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