2-(3-fluorophenyl)piperazine

• ChemBase ID: 811883
• Molecular Formular: C10H13FN2
• Molecular Mass: 180.2220232
• Monoisotopic Mass: 180.10627665
• SMILES: C1(CNCCN1)c1cc(ccc1)F
• Canonical SMILES: Fc1cccc(c1)C1CNCCN1
• InChI: InChI=1S/C10H13FN2/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12-13H,4-5,7H2
• InChIKey: AWAUULFUTVPSTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)piperazine
• IUPAC Traditional name: 2-(3-fluorophenyl)piperazine
• Synonyms: 2-(3-FLUOROPHENYL)PIPERAZINE

Database IDs

• CAS Number: 137684-17-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8509492
• LogD (pH = 7.4): -0.31265754
• Log P: 1.1981353
• Molar Refractivity: 49.948 cm^3
• Polarizability: 19.662243 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%