4-methyl-2-(piperazin-1-yl)quinoline hydrochloride

• ChemBase ID: 121610
• Molecular Formular: C14H18ClN3
• Molecular Mass: 263.76582
• Monoisotopic Mass: 263.11892527
• SMILES: c1(nc2c(c(c1)C)cccc2)N1CCNCC1.Cl
• Canonical SMILES: Cc1cc(nc2c1cccc2)N1CCNCC1.Cl
• InChI: InChI=1S/C14H17N3.ClH/c1-11-10-14(17-8-6-15-7-9-17)16-13-5-3-2-4-12(11)13;/h2-5,10,15H,6-9H2,1H3;1H
• InChIKey: SEXLPXKEJXXJCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(piperazin-1-yl)quinoline hydrochloride
• IUPAC Traditional name: 4-methyl-2-(piperazin-1-yl)quinoline hydrochloride
• Synonyms: 4-methyl-2-(piperazin-1-yl)quinoline hydrochloride

Database IDs

• PubChem SID: 162215963
• PubChem CID: 51051850

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.23930122
• LogD (pH = 7.4): 1.401707
• Log P: 2.810895
• Molar Refractivity: 70.518 cm^3
• Polarizability: 28.074959 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl