8-(piperazin-1-ylmethyl)quinoline hydrochloride

• ChemBase ID: 254658
• Molecular Formular: C14H18ClN3
• Molecular Mass: 263.76582
• Monoisotopic Mass: 263.11892527
• SMILES: c1(c2ncccc2ccc1)CN1CCNCC1.Cl
• Canonical SMILES: N1CCN(CC1)Cc1cccc2c1nccc2.Cl
• InChI: InChI=1S/C14H17N3.ClH/c1-3-12-5-2-6-16-14(12)13(4-1)11-17-9-7-15-8-10-17;/h1-6,15H,7-11H2;1H
• InChIKey: VFUVSVCCEYCWCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(piperazin-1-ylmethyl)quinoline hydrochloride
• IUPAC Traditional name: 8-(piperazin-1-ylmethyl)quinoline hydrochloride
• Synonyms: 8-(piperazin-1-ylmethyl)quinoline hydrochloride

Database IDs

• MDL Number: MFCD13195807
• PubChem SID: 164310568
• PubChem CID: 45791373

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7192541
• LogD (pH = 7.4): -0.36769617
• Log P: 1.5363688
• Molar Refractivity: 69.2774 cm^3
• Polarizability: 28.572294 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.762

Product Information

• Purity: 95%