1-(2-ethoxyethyl)-2-methylpiperazine

• ChemBase ID: 271336
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(C(CNCC1)C)CCOCC
• Canonical SMILES: CCOCCN1CCNCC1C
• InChI: InChI=1S/C9H20N2O/c1-3-12-7-6-11-5-4-10-8-9(11)2/h9-10H,3-8H2,1-2H3
• InChIKey: JVTFIDMHJVTPQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16811248
• PubChem SID: 164327246
• PubChem CID: 54592594

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9633048
• LogD (pH = 7.4): -1.6701913
• Log P: 0.38064858
• Molar Refractivity: 50.9544 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.853

Product Information

• Purity: 95%