1-(2,2-diethoxyethyl)-4-methylpiperazine

• ChemBase ID: 279403
• Molecular Formular: C11H24N2O2
• Molecular Mass: 216.32046
• Monoisotopic Mass: 216.18377802
• SMILES: N1(CC(OCC)OCC)CCN(CC1)C
• Canonical SMILES: CCOC(CN1CCN(CC1)C)OCC
• InChI: InChI=1S/C11H24N2O2/c1-4-14-11(15-5-2)10-13-8-6-12(3)7-9-13/h11H,4-10H2,1-3H3
• InChIKey: ZMLAJASKAPVSRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-diethoxyethyl)-4-methylpiperazine
• IUPAC Traditional name: 1-(2,2-diethoxyethyl)-4-methylpiperazine
• Synonyms: 1-(2,2-diethoxyethyl)-4-methylpiperazine

Database IDs

• MDL Number: MFCD18848379
• PubChem SID: 164335313
• PubChem CID: 63618525

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.520662
• LogD (pH = 7.4): 0.24759747
• Log P: 0.982832
• Molar Refractivity: 62.36 cm^3
• Polarizability: 24.697613 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.128

Product Information

• Purity: 95%