2-(2-methoxyphenyl)piperazine

• ChemBase ID: 22368
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1C(CNCC1)c1c(cccc1)OC
• Canonical SMILES: COc1ccccc1C1CNCCN1
• InChI: InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-9(11)10-8-12-6-7-13-10/h2-5,10,12-13H,6-8H2,1H3
• InChIKey: XYMDIQVPOIVJPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)piperazine
• IUPAC Traditional name: 2-(2-methoxyphenyl)piperazine
• Synonyms: 2-(2-Methoxyphenyl)-piperazine; 2-(2-METHOXY-PHENYL)-PIPERAZINE

Database IDs

• CAS Number: 65709-27-5
• MDL Number: MFCD06660448
• PubChem SID: 160985675
• PubChem CID: 16740792

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.084887
• LogD (pH = 7.4): -0.50305897
• Log P: 0.8977621
• Molar Refractivity: 56.1948 cm^3
• Polarizability: 22.542717 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%