8-(piperidin-4-yloxy)quinoline dihydrochloride

• ChemBase ID: 20988
• Molecular Formular: C14H18Cl2N2O
• Molecular Mass: 301.21152
• Monoisotopic Mass: 300.07961857
• SMILES: c1ccc2c(c1OC1CCNCC1)nccc2.Cl.Cl
• Canonical SMILES: N1CCC(CC1)Oc1cccc2c1nccc2.Cl.Cl
• InChI: InChI=1S/C14H16N2O.2ClH/c1-3-11-4-2-8-16-14(11)13(5-1)17-12-6-9-15-10-7-12;;/h1-5,8,12,15H,6-7,9-10H2;2*1H
• InChIKey: FWGWDPQQPJCLDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(piperidin-4-yloxy)quinoline dihydrochloride
• IUPAC Traditional name: 8-(piperidin-4-yloxy)quinoline dihydrochloride
• Synonyms: 8-(4-Piperidinyloxy)quinoline dihydrochloride

Database IDs

• MDL Number: MFCD09879222
• PubChem SID: 160984295
• PubChem CID: 45075447

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5913588
• LogD (pH = 7.4): -0.7461037
• Log P: 1.6169873
• Molar Refractivity: 66.5989 cm^3
• Polarizability: 27.682276 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false