2-(4-cyclobutanecarbonylpiperazin-1-yl)ethan-1-ol

• ChemBase ID: 283246
• Molecular Formular: C11H20N2O2
• Molecular Mass: 212.2887
• Monoisotopic Mass: 212.15247789
• SMILES: C(=O)(N1CCN(CC1)CCO)C1CCC1
• Canonical SMILES: OCCN1CCN(CC1)C(=O)C1CCC1
• InChI: InChI=1S/C11H20N2O2/c14-9-8-12-4-6-13(7-5-12)11(15)10-2-1-3-10/h10,14H,1-9H2
• InChIKey: BPRHVHXPVDHLLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-cyclobutanecarbonylpiperazin-1-yl)ethan-1-ol
• IUPAC Traditional name: 2-(4-cyclobutanecarbonylpiperazin-1-yl)ethanol
• Synonyms: 2-(4-cyclobutanecarbonylpiperazin-1-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD12179904
• PubChem SID: 180668777
• PubChem CID: 43416224

CALCULATED PROPERTIES

• Acid pKa: 15.593097
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4893755
• LogD (pH = 7.4): -0.2925127
• Log P: -0.20155375
• Molar Refractivity: 58.6019 cm^3
• Polarizability: 22.897978 Å^3
• Polar Surface Area: 43.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.086

Product Information

• Purity: 95%