2-(piperazin-1-yl)quinoline dihydrochloride

• ChemBase ID: 16426
• Molecular Formular: C13H17Cl2N3
• Molecular Mass: 286.20018
• Monoisotopic Mass: 285.07995292
• SMILES: c1(N2CCNCC2)nc2c(cc1)cccc2.Cl.Cl
• Canonical SMILES: N1CCN(CC1)c1ccc2c(n1)cccc2.Cl.Cl
• InChI: InChI=1S/C13H15N3.2ClH/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;;/h1-6,14H,7-10H2;2*1H
• InChIKey: NKSMLXMNONDXGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)quinoline dihydrochloride
• IUPAC Traditional name: quipazine dihydrochloride
• Synonyms: 2-Piperazin-1-yl-quinoline dihydrochloride; 2-piperazin-1-ylquinoline dihydrochloride

Database IDs

• MDL Number: MFCD09997922
• PubChem SID: 160979733
• PubChem CID: 42933710

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6823596
• LogD (pH = 7.4): 0.89164394
• Log P: 2.2974734
• Molar Refractivity: 65.4768 cm^3
• Polarizability: 26.31171 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 269 - 271°C
• Hydrophobicity(logP): 1.517

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%