1-(4-ethoxypiperazin-1-yl)ethan-1-ol

• ChemBase ID: 797364
• Molecular Formular: C8H18N2O2
• Molecular Mass: 174.24072
• Monoisotopic Mass: 174.13682783
• SMILES: C1CN(CCN1OCC)C(C)O
• Canonical SMILES: CCON1CCN(CC1)C(O)C
• InChI: InChI=1S/C8H18N2O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h8,11H,3-7H2,1-2H3
• InChIKey: ZMWMMZKCVWBSSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-ethoxypiperazin-1-yl)ethan-1-ol
• IUPAC Traditional name: 1-(4-ethoxypiperazin-1-yl)ethanol
• Synonyms: 1-Hydroxyethylethoxypiperazine

Database IDs

• CAS Number: 13349-82-1

CALCULATED PROPERTIES

• Acid pKa: 13.90889
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5665007
• LogD (pH = 7.4): -0.42207372
• Log P: -0.34330615
• Molar Refractivity: 47.6831 cm^3
• Polarizability: 19.106642 Å^3
• Polar Surface Area: 35.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%