piperazin-2-ylmethanol

• ChemBase ID: 235741
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: N1C(CNCC1)CO
• Canonical SMILES: OCC1CNCCN1
• InChI: InChI=1S/C5H12N2O/c8-4-5-3-6-1-2-7-5/h5-8H,1-4H2
• InChIKey: SIRSTRHGFGFVME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazin-2-ylmethanol
• IUPAC Traditional name: piperazin-2-ylmethanol
• Synonyms: piperazin-2-ylmethanol

Database IDs

• MDL Number: MFCD07772088
• PubChem SID: 164291651
• PubChem CID: 11788288

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

Physical Property

• Hydrophobicity(logP): -2.168

Product Information

• Purity: 95%