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

• ChemBase ID: 815367
• Molecular Formular: C7H12N4
• Molecular Mass: 152.19698
• Monoisotopic Mass: 152.1061964
• SMILES: C1(CCNCC1)n1nncc1
• Canonical SMILES: N1CCC(CC1)n1ccnn1
• InChI: InChI=1S/C7H12N4/c1-3-8-4-2-7(1)11-6-5-9-10-11/h5-8H,1-4H2
• InChIKey: SAYXVILDUZLWGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-1,2,3-triazol-1-yl)piperidine
• IUPAC Traditional name: 4-(1,2,3-triazol-1-yl)piperidine
• Synonyms: 4-(1H-1,2,3-triazol-1-yl)piperidine

Database IDs

• CAS Number: 756476-21-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5603228
• LogD (pH = 7.4): -2.9444194
• Log P: -0.33601177
• Molar Refractivity: 53.4748 cm^3
• Polarizability: 16.189745 Å^3
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%