1-(2,2-dimethoxyethyl)piperazine

• ChemBase ID: 307918
• Molecular Formular: C8H18N2O2
• Molecular Mass: 174.24072
• Monoisotopic Mass: 174.13682783
• SMILES: N1(CC(OC)OC)CCNCC1
• Canonical SMILES: COC(CN1CCNCC1)OC
• InChI: InChI=1S/C8H18N2O2/c1-11-8(12-2)7-10-5-3-9-4-6-10/h8-9H,3-7H2,1-2H3
• InChIKey: UEOCHFHHZPPAPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-dimethoxyethyl)piperazine
• IUPAC Traditional name: 1-(2,2-dimethoxyethyl)piperazine
• Synonyms: 1-(2,2-dimethoxyethyl)piperazine

Database IDs

• CAS Number: 82516-03-8
• MDL Number: MFCD09864418

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.281936
• LogD (pH = 7.4): -1.9525218
• Log P: -0.11383184
• Molar Refractivity: 47.5681 cm^3
• Polarizability: 19.178087 Å^3
• Polar Surface Area: 33.73 Å^2