(2S)-2-benzylpiperazine dihydrochloride

• ChemBase ID: 799817
• Molecular Formular: C11H18Cl2N2
• Molecular Mass: 249.18002
• Monoisotopic Mass: 248.08470395
• SMILES: Cl.Cl.[C@@H]1(CNCCN1)Cc1ccccc1
• Canonical SMILES: N1CCN[C@H](C1)Cc1ccccc1.Cl.Cl
• InChI: InChI=1S/C11H16N2.2ClH/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11;;/h1-5,11-13H,6-9H2;2*1H/t11-;;/m0../s1
• InChIKey: JHRUMWHRCFWZKW-IDMXKUIJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-benzylpiperazine dihydrochloride
• IUPAC Traditional name: (2S)-2-benzylpiperazine dihydrochloride
• Synonyms: (S)-2-benzylpiperazine dihydrochloride

Database IDs

• CAS Number: 133525-05-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9334997
• LogD (pH = 7.4): -0.5955445
• Log P: 1.3440945
• Molar Refractivity: 54.4866 cm^3
• Polarizability: 21.828024 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%