(2S)-2-[(3,5-dichlorophenyl)methyl]piperazine

• ChemBase ID: 808017
• Molecular Formular: C11H14Cl2N2
• Molecular Mass: 245.14826
• Monoisotopic Mass: 244.05340382
• SMILES: [C@@H]1(CNCCN1)Cc1cc(cc(c1)Cl)Cl
• Canonical SMILES: Clc1cc(C[C@@H]2NCCNC2)cc(c1)Cl
• InChI: InChI=1S/C11H14Cl2N2/c12-9-3-8(4-10(13)6-9)5-11-7-14-1-2-15-11/h3-4,6,11,14-15H,1-2,5,7H2/t11-/m0/s1
• InChIKey: LROMLAZPMLRZDU-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-[(3,5-dichlorophenyl)methyl]piperazine
• IUPAC Traditional name: (2S)-2-[(3,5-dichlorophenyl)methyl]piperazine
• Synonyms: (S)-2-(3,5-DICHLORO-BENZYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.68036246
• LogD (pH = 7.4): 0.69154376
• Log P: 2.5521839
• Molar Refractivity: 64.0962 cm^3
• Polarizability: 25.51645 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%