1-(piperidin-4-yl)-1,2,3,4-tetrahydroquinolin-2-one hydrochloride

• ChemBase ID: 51290
• Molecular Formular: C14H19ClN2O
• Molecular Mass: 266.76646
• Monoisotopic Mass: 266.11859092
• SMILES: N1(C(=O)CCc2c1cccc2)C1CCNCC1.Cl
• Canonical SMILES: O=C1CCc2c(N1C1CCNCC1)cccc2.Cl
• InChI: InChI=1S/C14H18N2O.ClH/c17-14-6-5-11-3-1-2-4-13(11)16(14)12-7-9-15-10-8-12;/h1-4,12,15H,5-10H2;1H
• InChIKey: JMLZUWGVEHXDLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)-1,2,3,4-tetrahydroquinolin-2-one hydrochloride
• IUPAC Traditional name: 1-(piperidin-4-yl)-3,4-dihydroquinolin-2-one hydrochloride
• Synonyms: 1-(4-Piperidyl)-1,2,3,4-tetrahydro-2-quinolinone hydrochloride

Database IDs

• MDL Number: MFCD16090018
• PubChem SID: 162056053
• PubChem CID: 18960738

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1956632
• LogD (pH = 7.4): -1.5098711
• Log P: 1.0244431
• Molar Refractivity: 67.4582 cm^3
• Polarizability: 26.32569 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%