8-(piperazin-1-yl)-1,2,3,4-tetrahydro-1,7-naphthyridine dihydrochloride

• ChemBase ID: 61499
• Molecular Formular: C12H20Cl2N4
• Molecular Mass: 291.22
• Monoisotopic Mass: 290.10650202
• SMILES: c1cc2c(c(n1)N1CCNCC1)NCCC2.Cl.Cl
• Canonical SMILES: N1CCN(CC1)c1nccc2c1NCCC2.Cl.Cl
• InChI: InChI=1S/C12H18N4.2ClH/c1-2-10-3-5-15-12(11(10)14-4-1)16-8-6-13-7-9-16;;/h3,5,13-14H,1-2,4,6-9H2;2*1H
• InChIKey: WHYDDYPWWZXXSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(piperazin-1-yl)-1,2,3,4-tetrahydro-1,7-naphthyridine dihydrochloride
• IUPAC Traditional name: 8-(piperazin-1-yl)-1,2,3,4-tetrahydro-1,7-naphthyridine dihydrochloride
• Synonyms: 8-(Piperazin-1-yl)-1,2,3,4-tetrahydro-1,7-naphthyridine dihydrochloride

Database IDs

• MDL Number: MFCD11052318
• PubChem SID: 162027240
• PubChem CID: 50998844

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.5035977
• LogD (pH = 7.4): -0.5538925
• Log P: 0.8793817
• Molar Refractivity: 67.503 cm^3
• Polarizability: 24.588795 Å^3
• Polar Surface Area: 40.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false