(1,4-dimethylpiperazin-2-yl)methanol

• ChemBase ID: 82838
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: N1(C(CN(CC1)C)CO)C
• Canonical SMILES: OCC1CN(C)CCN1C
• InChI: InChI=1S/C7H16N2O/c1-8-3-4-9(2)7(5-8)6-10/h7,10H,3-6H2,1-2H3
• InChIKey: ZEHZRJZZIYNPKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,4-dimethylpiperazin-2-yl)methanol
• IUPAC Traditional name: (1,4-dimethylpiperazin-2-yl)methanol
• Synonyms: (1,4-dimethyl-2-piperazinyl)methanol; (1,4-Dimethylpiperazin-2-yl)methanol; 1,4-Dimethyl-2-(hydroxymethyl)piperazine

Database IDs

• CAS Number: 14675-44-6
• MDL Number: MFCD00174342
• PubChem SID: 162069957
• PubChem CID: 2779170

CALCULATED PROPERTIES

• Acid pKa: 15.072581
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5360148
• LogD (pH = 7.4): -1.8001618
• Log P: -0.5930459
• Molar Refractivity: 42.0007 cm^3
• Polarizability: 16.56564 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110-112°C/13mm

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%