2-[1-(furan-3-ylmethyl)piperazin-2-yl]ethan-1-ol

• ChemBase ID: 312174
• Molecular Formular: C11H18N2O2
• Molecular Mass: 210.27282
• Monoisotopic Mass: 210.13682783
• SMILES: N1(Cc2cocc2)C(CCO)CNCC1
• Canonical SMILES: OCCC1CNCCN1Cc1cocc1
• InChI: InChI=1S/C11H18N2O2/c14-5-1-11-7-12-3-4-13(11)8-10-2-6-15-9-10/h2,6,9,11-12,14H,1,3-5,7-8H2
• InChIKey: WJSNYEZRMFBJST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(furan-3-ylmethyl)piperazin-2-yl]ethan-1-ol
• IUPAC Traditional name: 2-[1-(furan-3-ylmethyl)piperazin-2-yl]ethanol
• Synonyms: 2-[1-(3-furylmethyl)-2-piperazinyl]ethanol

Database IDs

• CAS Number: 815655-77-7
• MDL Number: MFCD05870557

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.176743
• LogD (pH = 7.4): -1.7344419
• Log P: -0.05141546
• Molar Refractivity: 58.6974 cm^3
• Polarizability: 23.024176 Å^3
• Polar Surface Area: 48.64 Å^2