8-[2-(piperidin-4-yl)ethoxy]quinoline hydrochloride

• ChemBase ID: 46695
• Molecular Formular: C16H21ClN2O
• Molecular Mass: 292.80374
• Monoisotopic Mass: 292.13424098
• SMILES: c12ncccc2cccc1OCCC1CCNCC1.Cl
• Canonical SMILES: N1CCC(CC1)CCOc1cccc2c1nccc2.Cl
• InChI: InChI=1S/C16H20N2O.ClH/c1-3-14-4-2-9-18-16(14)15(5-1)19-12-8-13-6-10-17-11-7-13;/h1-5,9,13,17H,6-8,10-12H2;1H
• InChIKey: QMUKXRBUSAFIFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(piperidin-4-yl)ethoxy]quinoline hydrochloride
• IUPAC Traditional name: 8-[2-(piperidin-4-yl)ethoxy]quinoline hydrochloride
• Synonyms: 8-[2-(4-Piperidinyl)ethoxy]quinoline hydrochloride

Database IDs

• MDL Number: MFCD13560582
• PubChem SID: 162051458
• PubChem CID: 53410315

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7883496
• LogD (pH = 7.4): -0.3310049
• Log P: 2.4442031
• Molar Refractivity: 76.0949 cm^3
• Polarizability: 31.376255 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false