2-ethyl-1-(2-methoxyethyl)piperazine

• ChemBase ID: 271337
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(C(CNCC1)CC)CCOC
• Canonical SMILES: COCCN1CCNCC1CC
• InChI: InChI=1S/C9H20N2O/c1-3-9-8-10-4-5-11(9)6-7-12-2/h9-10H,3-8H2,1-2H3
• InChIKey: RNIACYVDRCTKJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18843623
• PubChem SID: 164327247
• PubChem CID: 54592595

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9446275
• LogD (pH = 7.4): -1.6334827
• Log P: 0.546363
• Molar Refractivity: 50.7298 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): 0.38

Product Information

• Purity: 95%