2-(furan-2-yl)-4-methylpiperidine

• ChemBase ID: 285100
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(C2NCCC(C2)C)occc1
• Canonical SMILES: CC1CCNC(C1)c1ccco1
• InChI: InChI=1S/C10H15NO/c1-8-4-5-11-9(7-8)10-3-2-6-12-10/h2-3,6,8-9,11H,4-5,7H2,1H3
• InChIKey: CIBCBUOWFZOYNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-4-methylpiperidine
• IUPAC Traditional name: 2-(furan-2-yl)-4-methylpiperidine
• Synonyms: 2-(furan-2-yl)-4-methylpiperidine

Database IDs

• MDL Number: MFCD19657997
• PubChem SID: 180670631
• PubChem CID: 56828090

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.995694
• LogD (pH = 7.4): 0.68614966
• Log P: 1.7889936
• Molar Refractivity: 48.0577 cm^3
• Polarizability: 19.035566 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.188

Product Information

• Purity: 95%