5-nitro-6-(piperidin-1-yl)quinoline

• ChemBase ID: 88942
• Molecular Formular: C14H15N3O2
• Molecular Mass: 257.2878
• Monoisotopic Mass: 257.11642674
• SMILES: N1(c2ccc3c(c2[N+](=O)[O-])cccn3)CCCCC1
• Canonical SMILES: [O-][N+](=O)c1c(ccc2c1cccn2)N1CCCCC1
• InChI: InChI=1S/C14H15N3O2/c18-17(19)14-11-5-4-8-15-12(11)6-7-13(14)16-9-2-1-3-10-16/h4-8H,1-3,9-10H2
• InChIKey: CSULJRUBZZPJLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-nitro-6-(piperidin-1-yl)quinoline
• IUPAC Traditional name: 5-nitro-6-(piperidin-1-yl)quinoline
• Synonyms: 5-Nitro-6-(piperidin-1-yl)quinoline 98%

Database IDs

• PubChem SID: 162104665
• PubChem CID: 44119447

CALCULATED PROPERTIES

• Log P: 3.0292947
• Molar Refractivity: 73.8746 cm^3
• Polarizability: 28.420948 Å^3
• Polar Surface Area: 61.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.028505
• LogD (pH = 7.4): 3.0292847

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold