1-(piperidin-4-yl)-1,2-dihydroquinolin-2-one hydrochloride

• ChemBase ID: 51289
• Molecular Formular: C14H17ClN2O
• Molecular Mass: 264.75058
• Monoisotopic Mass: 264.10294085
• SMILES: n1(c(=O)ccc2c1cccc2)C1CCNCC1.Cl
• Canonical SMILES: O=c1ccc2c(n1C1CCNCC1)cccc2.Cl
• InChI: InChI=1S/C14H16N2O.ClH/c17-14-6-5-11-3-1-2-4-13(11)16(14)12-7-9-15-10-8-12;/h1-6,12,15H,7-10H2;1H
• InChIKey: ZGDMVIICYKKJSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)-1,2-dihydroquinolin-2-one hydrochloride
• IUPAC Traditional name: 1-(piperidin-4-yl)quinolin-2-one hydrochloride
• Synonyms: 1-(4-Piperidyl)-1, 2-dihydro-2-quinolinone

Database IDs

• MDL Number: MFCD16090017
• PubChem SID: 162056052
• PubChem CID: 49757590

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1151395
• LogD (pH = 7.4): -1.4293348
• Log P: 1.1049666
• Molar Refractivity: 68.5515 cm^3
• Polarizability: 26.162249 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%