1-(2-methoxyethyl)-2,6-dimethylpiperazine

• ChemBase ID: 242699
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(C(CNCC1C)C)CCOC
• Canonical SMILES: COCCN1C(C)CNCC1C
• InChI: InChI=1S/C9H20N2O/c1-8-6-10-7-9(2)11(8)4-5-12-3/h8-10H,4-7H2,1-3H3
• InChIKey: NHGOZVXVXAQQMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-2,6-dimethylpiperazine
• IUPAC Traditional name: 1-(2-methoxyethyl)-2,6-dimethylpiperazine
• Synonyms: 1-(2-methoxyethyl)-2,6-dimethylpiperazine

Database IDs

• MDL Number: MFCD09894141
• PubChem SID: 164298609
• PubChem CID: 24264355

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0763855
• LogD (pH = 7.4): -1.821441
• Log P: 0.44041565
• Molar Refractivity: 50.6246 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.983

Product Information

• Purity: 95%