ChemSpider 2D Image | Methyl 3-{(3S,4R)-1-[(2-methoxy-1-naphthyl)methyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-piperidinyl}propanoate | C32H41N3O4

Methyl 3-{(3S,4R)-1-[(2-methoxy-1-naphthyl)methyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-piperidinyl}propanoate

  • Molecular FormulaC32H41N3O4
  • Average mass531.686 Da
  • Monoisotopic mass531.309692 Da
  • ChemSpider ID22835071

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-{(3S,4R)-1-[(2-Méthoxy-1-naphtyl)méthyl]-4-[4-(2-méthoxyphényl)-1-pipérazinyl]-3-pipéridinyl}propanoate de méthyle [French] [ACD/IUPAC Name]
3-Piperidinepropanoic acid, 1-[(2-methoxy-1-naphthalenyl)methyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-, methyl ester, (3S,4R)- [ACD/Index Name]
Methyl 3-{(3S,4R)-1-[(2-methoxy-1-naphthyl)methyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-piperidinyl}propanoate [ACD/IUPAC Name]
Methyl-3-{(3S,4R)-1-[(2-methoxy-1-naphthyl)methyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-piperidinyl}propanoat [German] [ACD/IUPAC Name]
methyl 3-{(3S*,4R*)-1-[(2-methoxy-1-naphthyl)methyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-piperidinyl}propanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 646.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.5±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 155.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 5.37
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1217.35
ACD/KOC (pH 7.4): 3568.13
Polar Surface Area: 54 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 458.4±3.0 cm3

Click to predict properties on the Chemicalize site


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