2-(piperidin-1-yl)-5-(1H-1,2,3,4-tetrazol-1-yl)aniline

• ChemBase ID: 123505
• Molecular Formular: C12H16N6
• Molecular Mass: 244.29564
• Monoisotopic Mass: 244.14364454
• SMILES: n1(nnnc1)c1cc(c(N2CCCCC2)cc1)N
• Canonical SMILES: Nc1cc(ccc1N1CCCCC1)n1cnnn1
• InChI: InChI=1S/C12H16N6/c13-11-8-10(18-9-14-15-16-18)4-5-12(11)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7,13H2
• InChIKey: ZNSIZNNEJZHGFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)-5-(1H-1,2,3,4-tetrazol-1-yl)aniline
• IUPAC Traditional name: 2-(piperidin-1-yl)-5-(1,2,3,4-tetrazol-1-yl)aniline
• Synonyms: 2-(piperidin-1-yl)-5-(1H-tetrazol-1-yl)aniline

Database IDs

• PubChem SID: 162217858
• PubChem CID: 28643022

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6897375
• LogD (pH = 7.4): 1.1302941
• Log P: 1.1401542
• Molar Refractivity: 74.2639 cm^3
• Polarizability: 26.411167 Å^3
• Polar Surface Area: 72.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true