ChemSpider 2D Image | Methyl (3S)-4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate | C19H25Cl2N3O3

Methyl (3S)-4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate

  • Molecular FormulaC19H25Cl2N3O3
  • Average mass414.326 Da
  • Monoisotopic mass413.127289 Da
  • ChemSpider ID23156689

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-4-[2-(3,4-Dichlorophényl)acétyl]-3-(1-pyrrolidinylméthyl)-1-pipérazinecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 4-[2-(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, methyl ester, (3S)- [ACD/Index Name]
Methyl (3S)-4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
methyl (3S)-4-[(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
Methyl-(3S)-4-[(3,4-dichlorphenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
(S)-4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid methyl ester
methyl (3S)-4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate

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

4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid methyl ester(GR89696) [DBID]
GR-89696 [DBID] [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 559.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 292.0±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.17
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 14.06
ACD/KOC (pH 7.4): 88.76
Polar Surface Area: 53 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 315.4±3.0 cm3

Click to predict properties on the Chemicalize site


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