(1-benzylpiperazin-2-yl)methanol hydrochloride

• ChemBase ID: 293338
• Molecular Formular: C12H19ClN2O
• Molecular Mass: 242.74506
• Monoisotopic Mass: 242.11859092
• SMILES: OCC1N(Cc2ccccc2)CCNC1.Cl
• Canonical SMILES: OCC1CNCCN1Cc1ccccc1.Cl
• InChI: InChI=1S/C12H18N2O.ClH/c15-10-12-8-13-6-7-14(12)9-11-4-2-1-3-5-11;/h1-5,12-13,15H,6-10H2;1H
• InChIKey: OCYNUIPPLSAZDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzylpiperazin-2-yl)methanol hydrochloride
• IUPAC Traditional name: (1-benzylpiperazin-2-yl)methanol hydrochloride
• Synonyms: (1-Benzylpiperazin-2-yl)methanol hydrochloride

Database IDs

• PubChem SID: 180678869
• PubChem CID: 71748347

CALCULATED PROPERTIES

• Acid pKa: 15.071826
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4316773
• LogD (pH = 7.4): -0.8815911
• Log P: 0.7483793
• Molar Refractivity: 61.3186 cm^3
• Polarizability: 24.331331 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%