1-(2,3-dichlorophenyl)(2,2,3,3,5,5,6,6-2H8)piperazine

• ChemBase ID: 167137
• Molecular Formular: C10H12Cl2N2
• Molecular Mass: 231.12168
• Monoisotopic Mass: 230.03775375
• SMILES: c1(c(cccc1N1CCNCC1)Cl)Cl
• Canonical SMILES: Clc1c(Cl)cccc1N1CCNCC1
• InChI: InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2
• InChIKey: UDQMXYJSNNCRAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dichlorophenyl)(2,2,3,3,5,5,6,6-^2H₈)piperazine
• IUPAC Traditional name: 1-(2,3-dichlorophenyl)(2,2,3,3,5,5,6,6-^2H₈)piperazine
• Synonyms: 1-(2,3-Dichlorophenyl)piperazine-d8; 4-(2,3-Dichlorophenyl)piperazine-d8; DCPP-d8; N-(2,3-Dichlorophenyl)piperazine-d8

Database IDs

• PubChem SID: 162261270
• PubChem CID: 45038976

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22615209
• LogD (pH = 7.4): 1.3213116
• Log P: 2.7534506
• Molar Refractivity: 60.8516 cm^3
• Polarizability: 23.411781 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Brown Oil