1-(2-ethoxyethyl)-2-ethylpiperazine

• ChemBase ID: 271338
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: N1(C(CNCC1)CC)CCOCC
• Canonical SMILES: CCOCCN1CCNCC1CC
• InChI: InChI=1S/C10H22N2O/c1-3-10-9-11-5-6-12(10)7-8-13-4-2/h10-11H,3-9H2,1-2H3
• InChIKey: BJVVBTNILPCHMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18843624
• PubChem SID: 164327248
• PubChem CID: 54592596

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.550098
• LogD (pH = 7.4): -1.2379698
• Log P: 0.903171
• Molar Refractivity: 55.4784 cm^3
• Polarizability: 22.168617 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.382

Product Information

• Purity: 95%