(4-methylpiperazin-2-yl)methanol

• ChemBase ID: 309100
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: N1(CC(NCC1)CO)C
• Canonical SMILES: CN1CC(CO)NCC1
• InChI: InChI=1S/C6H14N2O/c1-8-3-2-7-6(4-8)5-9/h6-7,9H,2-5H2,1H3
• InChIKey: JVIKJOXETSHPGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylpiperazin-2-yl)methanol
• IUPAC Traditional name: (4-methylpiperazin-2-yl)methanol
• Synonyms: (4-methyl-2-piperazinyl)methanol

Database IDs

• CAS Number: 85155-83-5
• MDL Number: MFCD15474963

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.0882053
• LogD (pH = 7.4): -2.561321
• Log P: -0.9760938
• Molar Refractivity: 36.706 cm^3
• Polarizability: 14.724356 Å^3
• Polar Surface Area: 35.5 Å^2