1-[2-(2-fluorophenoxy)ethyl]piperazine

• ChemBase ID: 15781
• Molecular Formular: C12H17FN2O
• Molecular Mass: 224.2745832
• Monoisotopic Mass: 224.13249139
• SMILES: c1ccc(c(c1)OCCN1CCNCC1)F
• Canonical SMILES: Fc1ccccc1OCCN1CCNCC1
• InChI: InChI=1S/C12H17FN2O/c13-11-3-1-2-4-12(11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2
• InChIKey: ZIDLWEFXRRUFGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-fluorophenoxy)ethyl]piperazine
• IUPAC Traditional name: 1-[2-(2-fluorophenoxy)ethyl]piperazine
• Synonyms: 1-[2-(2-Fluorophenoxy)ethyl]piperazine

Database IDs

• MDL Number: MFCD02946827
• PubChem SID: 160979088
• PubChem CID: 762703

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6882105
• LogD (pH = 7.4): -0.37176633
• Log P: 1.4409926
• Molar Refractivity: 61.5121 cm^3
• Polarizability: 24.03249 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false