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

• ChemBase ID: 237213
• Molecular Formular: C10H22Cl2N2O2
• Molecular Mass: 273.19988
• Monoisotopic Mass: 272.10583331
• SMILES: N1(CC(C2OCCC2)O)CCNCC1.Cl.Cl
• Canonical SMILES: OC(C1CCCO1)CN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O2.2ClH/c13-9(10-2-1-7-14-10)8-12-5-3-11-4-6-12;;/h9-11,13H,1-8H2;2*1H
• InChIKey: GTGUZTZHWQKGDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22369910
• PubChem SID: 164293123
• PubChem CID: 71755887

CALCULATED PROPERTIES

• Acid pKa: 13.832462
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.8415978
• LogD (pH = 7.4): -2.4877167
• Log P: -0.55750483
• Molar Refractivity: 54.9607 cm^3
• Polarizability: 22.059525 Å^3
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): -0.811

Product Information

• Purity: 95%