1-[2-(4-fluorophenyl)ethyl]piperazine

• ChemBase ID: 236040
• Molecular Formular: C12H17FN2
• Molecular Mass: 208.2751832
• Monoisotopic Mass: 208.13757677
• SMILES: N1(CCc2ccc(F)cc2)CCNCC1
• Canonical SMILES: Fc1ccc(cc1)CCN1CCNCC1
• InChI: InChI=1S/C12H17FN2/c13-12-3-1-11(2-4-12)5-8-15-9-6-14-7-10-15/h1-4,14H,5-10H2
• InChIKey: LODHVDKKTUZVDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-fluorophenyl)ethyl]piperazine
• IUPAC Traditional name: 1-[2-(4-fluorophenyl)ethyl]piperazine
• Synonyms: 1-[2-(4-fluorophenyl)ethyl]piperazine

Database IDs

• MDL Number: MFCD09839701
• PubChem SID: 164291950
• PubChem CID: 11254522

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.434188
• LogD (pH = 7.4): -0.08628315
• Log P: 1.8100773
• Molar Refractivity: 60.3275 cm^3
• Polarizability: 23.271585 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.002

Product Information

• Purity: 95%