1-(2-bromophenyl)piperazine

• ChemBase ID: 274696
• Molecular Formular: C10H13BrN2
• Molecular Mass: 241.12762
• Monoisotopic Mass: 240.02621043
• SMILES: N1(c2c(Br)cccc2)CCNCC1
• Canonical SMILES: Brc1ccccc1N1CCNCC1
• InChI: InChI=1S/C10H13BrN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
• InChIKey: JVTRURBMYILQDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromophenyl)piperazine
• IUPAC Traditional name: 1-(2-bromophenyl)piperazine
• Synonyms: 1-(2-bromophenyl)piperazine

Database IDs

• MDL Number: MFCD03844726
• PubChem SID: 164330606
• PubChem CID: 2757153

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6762306
• LogD (pH = 7.4): 0.8591371
• Log P: 2.3141139
• Molar Refractivity: 58.8648 cm^3
• Polarizability: 22.365507 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.115

Product Information

• Purity: 95%