4-(4-methyl-1H-1,2,3-triazol-1-yl)piperidine

• ChemBase ID: 802709
• Molecular Formular: C8H14N4
• Molecular Mass: 166.22356
• Monoisotopic Mass: 166.12184647
• SMILES: C1(CCNCC1)n1nnc(c1)C
• Canonical SMILES: Cc1nnn(c1)C1CCNCC1
• InChI: InChI=1S/C8H14N4/c1-7-6-12(11-10-7)8-2-4-9-5-3-8/h6,8-9H,2-5H2,1H3
• InChIKey: FPZILCGYTAIFMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methyl-1H-1,2,3-triazol-1-yl)piperidine
• IUPAC Traditional name: 4-(4-methyl-1,2,3-triazol-1-yl)piperidine
• Synonyms: 4-(4-METHYL-1H-1,2,3-TRIAZOL-1-YL)PIPERIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4289505
• LogD (pH = 7.4): -2.813049
• Log P: -0.20464161
• Molar Refractivity: 58.0663 cm^3
• Polarizability: 17.952734 Å^3
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%