1-(2-methoxyethyl)-2-methylpiperazine

• ChemBase ID: 271335
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(C(CNCC1)C)CCOC
• Canonical SMILES: COCCN1CCNCC1C
• InChI: InChI=1S/C8H18N2O/c1-8-7-9-3-4-10(8)5-6-11-2/h8-9H,3-7H2,1-2H3
• InChIKey: WGOQNROQRIISTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-2-methylpiperazine
• IUPAC Traditional name: 1-(2-methoxyethyl)-2-methylpiperazine
• Synonyms: 1-(2-methoxyethyl)-2-methylpiperazine

Database IDs

• MDL Number: MFCD16300980
• PubChem SID: 164327245
• PubChem CID: 54438391

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3578794
• LogD (pH = 7.4): -2.057921
• Log P: 0.023840623
• Molar Refractivity: 46.2058 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.464

Product Information

• Purity: 95%