[(2R)-piperazin-2-yl]methanol dihydrochloride

• ChemBase ID: 799820
• Molecular Formular: C5H14Cl2N2O
• Molecular Mass: 189.08346
• Monoisotopic Mass: 188.04831844
• SMILES: Cl.Cl.C(O)[C@H]1CNCCN1
• Canonical SMILES: OC[C@@H]1NCCNC1.Cl.Cl
• InChI: InChI=1S/C5H12N2O.2ClH/c8-4-5-3-6-1-2-7-5;;/h5-8H,1-4H2;2*1H/t5-;;/m1../s1
• InChIKey: ZGSXUBVXZCCDHZ-ZJIMSODOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R)-piperazin-2-yl]methanol dihydrochloride
• IUPAC Traditional name: (2R)-piperazin-2-ylmethanol dihydrochloride
• Synonyms: (R)-piperazin-2-ylmethanol dihydrochloride

CALCULATED PROPERTIES

• Acid pKa: 15.079904
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.504783
• LogD (pH = 7.4): -3.0253875
• Log P: -1.3591418
• Molar Refractivity: 31.4113 cm^3
• Polarizability: 12.88451 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%