[1-(furan-2-ylmethyl)piperidin-4-yl]methanol

• ChemBase ID: 101505
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: N1(Cc2occc2)CCC(CC1)CO
• Canonical SMILES: OCC1CCN(CC1)Cc1ccco1
• InChI: InChI=1S/C11H17NO2/c13-9-10-3-5-12(6-4-10)8-11-2-1-7-14-11/h1-2,7,10,13H,3-6,8-9H2
• InChIKey: YBANPRCPQURNFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(furan-2-ylmethyl)piperidin-4-yl]methanol
• IUPAC Traditional name: [1-(furan-2-ylmethyl)piperidin-4-yl]methanol
• Synonyms: [1-(2-furylmethyl)piperid-4-yl]methanol; [1-(furan-2-ylmethyl)piperidin-4-yl]methanol

Database IDs

• CAS Number: 930111-13-0
• MDL Number: MFCD09879982
• PubChem SID: 162088834
• PubChem CID: 24229765

CALCULATED PROPERTIES

• Acid pKa: 15.467189
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0189652
• LogD (pH = 7.4): -0.25175902
• Log P: 0.7535496
• Molar Refractivity: 55.5339 cm^3
• Polarizability: 21.496708 Å^3
• Polar Surface Area: 36.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.877

Product Information

• Purity: 90%; 95%