1-(3-ethoxypyridin-2-yl)piperazine

• ChemBase ID: 116754
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: c1(N2CCNCC2)ncccc1OCC
• Canonical SMILES: CCOc1cccnc1N1CCNCC1
• InChI: InChI=1S/C11H17N3O/c1-2-15-10-4-3-5-13-11(10)14-8-6-12-7-9-14/h3-5,12H,2,6-9H2,1H3
• InChIKey: ADRKNHZDRFYWEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-ethoxypyridin-2-yl)piperazine
• IUPAC Traditional name: 1-(3-ethoxypyridin-2-yl)piperazine
• Synonyms: 1-(3-ethoxypyridin-2-yl)piperazine

Database IDs

• MDL Number: MFCD09743989
• PubChem SID: 162102434
• PubChem CID: 10655943

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8543341
• LogD (pH = 7.4): -0.24198577
• Log P: 1.121283
• Molar Refractivity: 60.6104 cm^3
• Polarizability: 23.092424 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.546

Product Information

• Purity: 95+%