2-(piperazin-1-yl)phenol hydrochloride

• ChemBase ID: 239209
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: N1(c2c(O)cccc2)CCNCC1.Cl
• Canonical SMILES: Oc1ccccc1N1CCNCC1.Cl
• InChI: InChI=1S/C10H14N2O.ClH/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12;/h1-4,11,13H,5-8H2;1H
• InChIKey: UQMMJMAMYMNLTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)phenol hydrochloride
• IUPAC Traditional name: 2-(piperazin-1-yl)phenol hydrochloride
• Synonyms: 2-(piperazin-1-yl)phenol hydrochloride

Database IDs

• MDL Number: MFCD22378691
• PubChem SID: 164295119
• PubChem CID: 22625406

CALCULATED PROPERTIES

• Acid pKa: 10.219043
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.747342
• LogD (pH = 7.4): -0.211269
• Log P: 1.000945
• Molar Refractivity: 53.2229 cm^3
• Polarizability: 20.236729 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.917

Product Information

• Purity: 95%