ChemSpider 2D Image | (3R,3'R)-1,1'-[1,4-Phenylenebis(methylene)]bis(N-benzyl-N-methyl-3-piperidinecarboxamide) | C36H46N4O2

(3R,3'R)-1,1'-[1,4-Phenylenebis(methylene)]bis(N-benzyl-N-methyl-3-piperidinecarboxamide)

  • Molecular FormulaC36H46N4O2
  • Average mass566.776 Da
  • Monoisotopic mass566.362061 Da
  • ChemSpider ID117154
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,3'R)-1,1'-(1,4-Phenylendimethylen)bis(N-benzyl-N-methyl-3-piperidincarboxamid) [German] [ACD/IUPAC Name]
(3R,3'R)-1,1'-(1,4-Phénylènediméthylène)bis(N-benzyl-N-méthyl-3-pipéridinecarboxamide) [French] [ACD/IUPAC Name]
(3R,3'R)-1,1'-[1,4-Phenylenebis(methylene)]bis(N-benzyl-N-methyl-3-piperidinecarboxamide) [ACD/IUPAC Name]
3-Piperidinecarboxamide, 1,1'-[1,4-phenylenebis(methylene)]bis[N-methyl-N-(phenylmethyl)-, (3R,3'R)- [ACD/Index Name]
145348-16-9 [RN]
3-Piperidinecarboxamide, 1,1'-(1,4-phenylenebis(methylene))bis(N-methyl-N-(phenylmethyl)-, (R-(R*,R*))-
A-4 Nipecotamide
Bisbmcpx
α,α'-Bis(3-(N-benzyl-N-methylcarbamoyl)piperidinol)-4-xylene

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

Density: 1.1±0.1 g/cm3
Boiling Point: 721.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 284.1±25.2 °C
Index of Refraction: 1.602
Molar Refractivity: 169.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 60.67
ACD/KOC (pH 7.4): 284.17
Polar Surface Area: 47 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 493.6±3.0 cm3

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