[(2R)-1-benzylpiperazin-2-yl]methanol

• ChemBase ID: 799818
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: C(O)[C@H]1CNCCN1Cc1ccccc1
• Canonical SMILES: OC[C@H]1CNCCN1Cc1ccccc1
• InChI: InChI=1S/C12H18N2O/c15-10-12-8-13-6-7-14(12)9-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2/t12-/m1/s1
• InChIKey: MIULIYROIRMPCW-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R)-1-benzylpiperazin-2-yl]methanol
• IUPAC Traditional name: [(2R)-1-benzylpiperazin-2-yl]methanol
• Synonyms: (R)-(1-benzylpiperazin-2-yl)methanol

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: 97%