8-(piperidin-3-yloxy)quinoline dihydrochloride

• ChemBase ID: 20905
• Molecular Formular: C14H18Cl2N2O
• Molecular Mass: 301.21152
• Monoisotopic Mass: 300.07961857
• SMILES: c1(c2ncccc2ccc1)OC1CNCCC1.Cl.Cl
• Canonical SMILES: C1CCC(CN1)Oc1cccc2c1nccc2.Cl.Cl
• InChI: InChI=1S/C14H16N2O.2ClH/c1-4-11-5-2-9-16-14(11)13(7-1)17-12-6-3-8-15-10-12;;/h1-2,4-5,7,9,12,15H,3,6,8,10H2;2*1H
• InChIKey: YRPAOJVYZGEZGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(piperidin-3-yloxy)quinoline dihydrochloride
• IUPAC Traditional name: 8-(piperidin-3-yloxy)quinoline dihydrochloride
• Synonyms: 8-(3-Piperidinyloxy)quinoline dihydrochloride

Database IDs

• MDL Number: MFCD12405044
• PubChem SID: 160984212
• PubChem CID: 46735669

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0853566
• LogD (pH = 7.4): 0.07750898
• Log P: 2.0743904
• Molar Refractivity: 66.3781 cm^3
• Polarizability: 27.682232 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