2-(furan-2-yl)piperidine

• ChemBase ID: 273239
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(occc1)C1NCCCC1
• Canonical SMILES: C1CCC(NC1)c1ccco1
• InChI: InChI=1S/C9H13NO/c1-2-6-10-8(4-1)9-5-3-7-11-9/h3,5,7-8,10H,1-2,4,6H2
• InChIKey: MIJFUNGHFNXZGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02663560
• PubChem SID: 164329149
• PubChem CID: 4715025

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2655978
• LogD (pH = 7.4): 0.4229067
• Log P: 1.5019745
• Molar Refractivity: 43.5091 cm^3
• Polarizability: 17.192251 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.669

Product Information

• Purity: 95%