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

• ChemBase ID: 92704
• Molecular Formular: C6H11N5
• Molecular Mass: 153.18504
• Monoisotopic Mass: 153.10144538
• SMILES: n1nnc([nH]1)N1CCCCC1
• Canonical SMILES: C1CCN(CC1)c1nnn[nH]1
• InChI: InChI=1S/C6H11N5/c1-2-4-11(5-3-1)6-7-9-10-8-6/h1-5H2,(H,7,8,9,10)
• InChIKey: BOCVCZVEFAXXGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1H-1,2,3,4-tetrazol-5-yl)piperidine
• IUPAC Traditional name: 1-(1H-1,2,3,4-tetrazol-5-yl)piperidine
• Synonyms: 5-(1-Piperidino)tetrazole

Database IDs

• MDL Number: MFCD01861992
• PubChem SID: 162079402
• PubChem CID: 223447

CALCULATED PROPERTIES

• Acid pKa: 4.3339868
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.18998243
• LogD (pH = 7.4): -0.7254243
• Log P: 0.87169564
• Molar Refractivity: 44.3625 cm^3
• Polarizability: 15.056392 Å^3
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable