2-(pyridin-2-yl)piperazine

• ChemBase ID: 807890
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: C1(CNCCN1)c1ncccc1
• Canonical SMILES: C1CNC(CN1)c1ccccn1
• InChI: InChI=1S/C9H13N3/c1-2-4-11-8(3-1)9-7-10-5-6-12-9/h1-4,9-10,12H,5-7H2
• InChIKey: UGHMAQBZWONQLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)piperazine
• IUPAC Traditional name: 2-(pyridin-2-yl)piperazine
• Synonyms: 2-PYRIDIN-2-YL-PIPERAZINE

Database IDs

• CAS Number: 111759-97-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7859073
• LogD (pH = 7.4): -1.1305829
• Log P: 0.07142204
• Molar Refractivity: 47.1276 cm^3
• Polarizability: 19.1262 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%