(2R)-2-[(2,4-dichlorophenyl)methyl]piperazine

• ChemBase ID: 808006
• Molecular Formular: C11H14Cl2N2
• Molecular Mass: 245.14826
• Monoisotopic Mass: 244.05340382
• SMILES: [C@H]1(CNCCN1)Cc1c(cc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)C[C@@H]1CNCCN1
• InChI: InChI=1S/C11H14Cl2N2/c12-9-2-1-8(11(13)6-9)5-10-7-14-3-4-15-10/h1-2,6,10,14-15H,3-5,7H2/t10-/m1/s1
• InChIKey: ZKJFYJKTSUDBDM-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[(2,4-dichlorophenyl)methyl]piperazine
• IUPAC Traditional name: (2R)-2-[(2,4-dichlorophenyl)methyl]piperazine
• Synonyms: (R)-2-(2,4-DICHLORO-BENZYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.666929
• LogD (pH = 7.4): 0.7208151
• Log P: 2.5521839
• Molar Refractivity: 64.0962 cm^3
• Polarizability: 25.514488 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%