(1-methylpiperazin-2-yl)methanol

• ChemBase ID: 309101
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: N1(C(CNCC1)CO)C
• Canonical SMILES: CN1CCNCC1CO
• InChI: InChI=1S/C6H14N2O/c1-8-3-2-7-4-6(8)5-9/h6-7,9H,2-5H2,1H3
• InChIKey: ZBIWOALTDQQQTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylpiperazin-2-yl)methanol
• IUPAC Traditional name: (1-methylpiperazin-2-yl)methanol
• Synonyms: (1-methyl-2-piperazinyl)methanol

Database IDs

• CAS Number: 141108-61-4
• MDL Number: MFCD18447653

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.2134576
• LogD (pH = 7.4): -2.6767135
• Log P: -0.9760938
• Molar Refractivity: 36.706 cm^3
• Polarizability: 14.724356 Å^3
• Polar Surface Area: 35.5 Å^2