(2S,5S)-2,5-dibenzylpiperazine dihydrochloride

• ChemBase ID: 799804
• Molecular Formular: C18H24Cl2N2
• Molecular Mass: 339.30256
• Monoisotopic Mass: 338.13165414
• SMILES: Cl.Cl.[C@@H]1(CN[C@H](CN1)Cc1ccccc1)Cc1ccccc1
• Canonical SMILES: N1C[C@@H](NC[C@@H]1Cc1ccccc1)Cc1ccccc1.Cl.Cl
• InChI: InChI=1S/C18H22N2.2ClH/c1-3-7-15(8-4-1)11-17-13-20-18(14-19-17)12-16-9-5-2-6-10-16;;/h1-10,17-20H,11-14H2;2*1H/t17-,18-;;/m0../s1
• InChIKey: DSRJKWHIRJYPGK-MPGISEFESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,5S)-2,5-dibenzylpiperazine dihydrochloride
• IUPAC Traditional name: (2S,5S)-2,5-dibenzylpiperazine dihydrochloride
• Synonyms: (2S,5S)-2,5-dibenzylpiperazine dihydrochloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.058839858
• LogD (pH = 7.4): 1.3305659
• Log P: 3.416996
• Molar Refractivity: 83.5244 cm^3
• Polarizability: 33.236237 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%