2-(2-fluorophenyl)-1-methylpiperazine

• ChemBase ID: 62433
• Molecular Formular: C11H15FN2
• Molecular Mass: 194.2486032
• Monoisotopic Mass: 194.12192671
• SMILES: c1(C2N(CCNC2)C)c(F)cccc1
• Canonical SMILES: CN1CCNCC1c1ccccc1F
• InChI: InChI=1S/C11H15FN2/c1-14-7-6-13-8-11(14)9-4-2-3-5-10(9)12/h2-5,11,13H,6-8H2,1H3
• InChIKey: XDEGAOYPBFQQAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)-1-methylpiperazine
• IUPAC Traditional name: 2-(2-fluorophenyl)-1-methylpiperazine
• Synonyms: 2-(2-Fluoro-phenyl)-1-methyl-piperazine

Database IDs

• MDL Number: MFCD10034698
• PubChem SID: 162028172
• PubChem CID: 20274323

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3483816
• LogD (pH = 7.4): 0.2809669
• Log P: 1.5811832
• Molar Refractivity: 55.2427 cm^3
• Polarizability: 21.503345 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false