5-(piperazin-1-yl)-1,6-naphthyridine hydrochloride

• ChemBase ID: 61493
• Molecular Formular: C12H15ClN4
• Molecular Mass: 250.7273
• Monoisotopic Mass: 250.09852418
• SMILES: c1ccc2c(n1)ccnc2N1CCNCC1.Cl
• Canonical SMILES: N1CCN(CC1)c1nccc2c1cccn2.Cl
• InChI: InChI=1S/C12H14N4.ClH/c1-2-10-11(14-4-1)3-5-15-12(10)16-8-6-13-7-9-16;/h1-5,13H,6-9H2;1H
• InChIKey: IGTBBUXXWUUPBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperazin-1-yl)-1,6-naphthyridine hydrochloride
• IUPAC Traditional name: 5-(piperazin-1-yl)-1,6-naphthyridine hydrochloride
• Synonyms: 5-Piperazin-1-yl-1,6-naphthyridine hydrochloride

Database IDs

• MDL Number: MFCD09753939
• PubChem SID: 162027234
• PubChem CID: 45026862

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8756304
• LogD (pH = 7.4): -0.28998262
• Log P: 1.0798011
• Molar Refractivity: 63.3199 cm^3
• Polarizability: 25.37534 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90+%