8-(piperidin-4-ylmethoxy)quinoline dihydrochloride

• ChemBase ID: 20806
• Molecular Formular: C15H20Cl2N2O
• Molecular Mass: 315.2381
• Monoisotopic Mass: 314.09526863
• SMILES: c12ncccc2cccc1OCC1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)COc1cccc2c1nccc2.Cl.Cl
• InChI: InChI=1S/C15H18N2O.2ClH/c1-3-13-4-2-8-17-15(13)14(5-1)18-11-12-6-9-16-10-7-12;;/h1-5,8,12,16H,6-7,9-11H2;2*1H
• InChIKey: OBMJNFQZYVVUEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(piperidin-4-ylmethoxy)quinoline dihydrochloride
• IUPAC Traditional name: 8-(piperidin-4-ylmethoxy)quinoline dihydrochloride
• Synonyms: 8-(4-Piperidinylmethoxy)quinoline dihydrochloride

Database IDs

• MDL Number: MFCD12405035
• PubChem SID: 160984113
• PubChem CID: 46735640

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1547984
• LogD (pH = 7.4): -0.6930741
• Log P: 2.077588
• Molar Refractivity: 71.4169 cm^3
• Polarizability: 29.529318 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