8-(piperidin-3-ylmethoxy)quinoline

• ChemBase ID: 20719
• Molecular Formular: C15H18N2O
• Molecular Mass: 242.31622
• Monoisotopic Mass: 242.14191321
• SMILES: c12ncccc2cccc1OCC1CNCCC1
• Canonical SMILES: C1CCC(CN1)COc1cccc2c1nccc2
• InChI: InChI=1S/C15H18N2O/c1-5-13-6-3-9-17-15(13)14(7-1)18-11-12-4-2-8-16-10-12/h1,3,5-7,9,12,16H,2,4,8,10-11H2
• InChIKey: OEOQMFJYEFHQAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(piperidin-3-ylmethoxy)quinoline
• IUPAC Traditional name: 8-(piperidin-3-ylmethoxy)quinoline
• Synonyms: 8-(3-Piperidinylmethoxy)quinoline

Database IDs

• MDL Number: MFCD08688504
• PubChem SID: 160984026
• PubChem CID: 45075345

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1037078
• LogD (pH = 7.4): -0.44516686
• Log P: 2.119145
• Molar Refractivity: 71.3181 cm^3
• Polarizability: 29.529316 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false