2-(piperazin-2-yl)ethan-1-ol dihydrochloride

• ChemBase ID: 294613
• Molecular Formular: C6H16Cl2N2O
• Molecular Mass: 203.11004
• Monoisotopic Mass: 202.0639685
• SMILES: OCCC1NCCNC1.Cl.Cl
• Canonical SMILES: OCCC1NCCNC1.Cl.Cl
• InChI: InChI=1S/C6H14N2O.2ClH/c9-4-1-6-5-7-2-3-8-6;;/h6-9H,1-5H2;2*1H
• InChIKey: DSFHLVUORJMPAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-2-yl)ethan-1-ol dihydrochloride
• IUPAC Traditional name: 2-(piperazin-2-yl)ethanol dihydrochloride
• Synonyms: 2-(Piperazin-2-yl)ethanol dihydrochloride

Database IDs

• CAS Number: 5169-93-7
• MDL Number: MFCD12755993
• PubChem SID: 180680144
• PubChem CID: 44829118

CALCULATED PROPERTIES

• Acid pKa: 15.92218
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.5413404
• LogD (pH = 7.4): -3.1753817
• Log P: -1.299182
• Molar Refractivity: 36.2767 cm^3
• Polarizability: 14.724356 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%