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

• ChemBase ID: 270360
• Molecular Formular: C7H18Cl2N2O
• Molecular Mass: 217.13662
• Monoisotopic Mass: 216.07961857
• SMILES: N1(C(CO)C)CCNCC1.Cl.Cl
• Canonical SMILES: OCC(N1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C7H16N2O.2ClH/c1-7(6-10)9-4-2-8-3-5-9;;/h7-8,10H,2-6H2,1H3;2*1H
• InChIKey: KZADEUVHMMIGGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)propan-1-ol dihydrochloride
• IUPAC Traditional name: 2-(piperazin-1-yl)propan-1-ol dihydrochloride
• Synonyms: 2-(piperazin-1-yl)propan-1-ol dihydrochloride

Database IDs

• MDL Number: MFCD01702699
• PubChem SID: 164326270
• PubChem CID: 11972044

CALCULATED PROPERTIES

• Molar Refractivity: 41.4546 cm^3
• Polarizability: 16.56564 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.121422
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9955451
• LogD (pH = 7.4): -2.6401768
• Log P: -0.6192859

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.504

Product Information

• Purity: 95%