(2S)-2-(4-fluorophenyl)piperazine

• ChemBase ID: 807781
• Molecular Formular: C10H13FN2
• Molecular Mass: 180.2220232
• Monoisotopic Mass: 180.10627665
• SMILES: [C@@H]1(CNCCN1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)[C@@H]1NCCNC1
• InChI: InChI=1S/C10H13FN2/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2/t10-/m1/s1
• InChIKey: NZAKSEMIIIZYEM-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(4-fluorophenyl)piperazine
• IUPAC Traditional name: (2S)-2-(4-fluorophenyl)piperazine
• Synonyms: (2S)-2-(4-FLUOROPHENYL)PIPERAZINE

Database IDs

• CAS Number: 612507-29-6

CALCULATED PROPERTIES

• Molar Refractivity: 49.948 cm^3
• Polarizability: 19.66226 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.882199
• LogD (pH = 7.4): -0.3758278
• Log P: 1.1981353

PROPERTIES

Product Information

• Purity: 98%