5-chloro-8-(piperidin-3-yloxy)quinoline hydrochloride

• ChemBase ID: 47071
• Molecular Formular: C14H16Cl2N2O
• Molecular Mass: 299.19564
• Monoisotopic Mass: 298.0639685
• SMILES: c12c(c(ccc1OC1CNCCC1)Cl)cccn2.Cl
• Canonical SMILES: Clc1ccc(c2c1cccn2)OC1CCCNC1.Cl
• InChI: InChI=1S/C14H15ClN2O.ClH/c15-12-5-6-13(14-11(12)4-2-8-17-14)18-10-3-1-7-16-9-10;/h2,4-6,8,10,16H,1,3,7,9H2;1H
• InChIKey: BXKOBXWNDHCCIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-8-(piperidin-3-yloxy)quinoline hydrochloride
• IUPAC Traditional name: 5-chloro-8-(piperidin-3-yloxy)quinoline hydrochloride
• Synonyms: 5-Chloro-8-quinolinyl 3-piperidinyl ether hydrochloride

Database IDs

• MDL Number: MFCD13560956
• PubChem SID: 162051834
• PubChem CID: 56830957

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.47965372
• LogD (pH = 7.4): 0.68685234
• Log P: 2.678435
• Molar Refractivity: 71.1829 cm^3
• Polarizability: 29.502453 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