1-(5-fluoropyridin-2-yl)piperazine

• ChemBase ID: 246789
• Molecular Formular: C9H12FN3
• Molecular Mass: 181.2100832
• Monoisotopic Mass: 181.10152562
• SMILES: c1(N2CCNCC2)ncc(cc1)F
• Canonical SMILES: Fc1ccc(nc1)N1CCNCC1
• InChI: InChI=1S/C9H12FN3/c10-8-1-2-9(12-7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
• InChIKey: DTAOJTXARNSWRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-fluoropyridin-2-yl)piperazine
• IUPAC Traditional name: 1-(5-fluoropyridin-2-yl)piperazine
• Synonyms: 1-(5-fluoropyridin-2-yl)piperazine

Database IDs

• MDL Number: MFCD11656371
• PubChem SID: 164302699
• PubChem CID: 13713023

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9020616
• LogD (pH = 7.4): -0.3410187
• Log P: 1.0648483
• Molar Refractivity: 49.615 cm^3
• Polarizability: 18.408266 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.864

Product Information

• Purity: 95%