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

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

  • Molecular FormulaC32H41N3O4
  • Average mass531.686 Da
  • Monoisotopic mass531.309692 Da
  • ChemSpider ID22861983
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-{(3S,4R)-1-[(4-Méthoxy-1-naphtyl)méthyl]-4-[4-(2-méthoxyphényl)-1-pipérazinyl]-3-pipéridinyl}propanoate de méthyle [French] [ACD/IUPAC Name]
3-Piperidinepropanoic acid, 1-[(4-methoxy-1-naphthalenyl)methyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-, methyl ester, (3S,4R)- [ACD/Index Name]
Methyl 3-{(3S,4R)-1-[(4-methoxy-1-naphthyl)methyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-piperidinyl}propanoate [ACD/IUPAC Name]
Methyl-3-{(3S,4R)-1-[(4-methoxy-1-naphthyl)methyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-piperidinyl}propanoat [German] [ACD/IUPAC Name]
methyl 3-{(3S*,4R*)-1-[(4-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: 653.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.8±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): 1.58
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 3.55
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 781.26
ACD/KOC (pH 7.4): 2289.91
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

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