4-(2-methoxyphenyl)piperazin-1-amine

• ChemBase ID: 239790
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: N1(c2c(OC)cccc2)CCN(CC1)N
• Canonical SMILES: COc1ccccc1N1CCN(CC1)N
• InChI: InChI=1S/C11H17N3O/c1-15-11-5-3-2-4-10(11)13-6-8-14(12)9-7-13/h2-5H,6-9,12H2,1H3
• InChIKey: FWEOJIHINZZOHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyphenyl)piperazin-1-amine
• IUPAC Traditional name: 4-(2-methoxyphenyl)piperazin-1-amine
• Synonyms: 4-(2-methoxyphenyl)piperazin-1-amine

Database IDs

• MDL Number: MFCD07364281
• PubChem SID: 164295700
• PubChem CID: 13730200

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.32149574
• LogD (pH = 7.4): 0.7046273
• Log P: 0.7125483
• Molar Refractivity: 62.1893 cm^3
• Polarizability: 23.476568 Å^3
• Polar Surface Area: 41.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.795

Product Information

• Purity: 95%