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

• ChemBase ID: 244588
• Molecular Formular: C9H12FN3
• Molecular Mass: 181.2100832
• Monoisotopic Mass: 181.10152562
• SMILES: c1(N2CCNCC2)ncccc1F
• Canonical SMILES: Fc1cccnc1N1CCNCC1
• InChI: InChI=1S/C9H12FN3/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
• InChIKey: HPYRNHPSWLCJKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09910293
• PubChem SID: 164300498
• PubChem CID: 134987

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8628441
• LogD (pH = 7.4): -0.26535377
• Log P: 1.0648483
• Molar Refractivity: 49.615 cm^3
• Polarizability: 18.409008 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%