ChemSpider 2D Image | Methyl 3-{(3S,4R)-1-(3-hydroxybenzyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-piperidinyl}propanoate | C27H37N3O4

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

  • Molecular FormulaC27H37N3O4
  • Average mass467.600 Da
  • Monoisotopic mass467.278412 Da
  • ChemSpider ID23040598

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 317.2±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 20.06
ACD/KOC (pH 7.4): 136.14
Polar Surface Area: 65 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 398.7±3.0 cm3

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