1-(2,2-diethoxyethyl)piperazine

• ChemBase ID: 73342
• Molecular Formular: C10H22N2O2
• Molecular Mass: 202.29388
• Monoisotopic Mass: 202.16812795
• SMILES: N1CCN(CC(OCC)OCC)CC1
• Canonical SMILES: CCOC(CN1CCNCC1)OCC
• InChI: InChI=1S/C10H22N2O2/c1-3-13-10(14-4-2)9-12-7-5-11-6-8-12/h10-11H,3-9H2,1-2H3
• InChIKey: VHGGJFCLQZMVGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-diethoxyethyl)piperazine
• IUPAC Traditional name: 1-(2,2-diethoxyethyl)piperazine
• Synonyms: Piperazinoacetaldehydediethylacetal; 1-(2,2-Diethoxyethyl)piperazine 98%

Database IDs

• MDL Number: MFCD03094589
• PubChem SID: 162038262
• PubChem CID: 2737392

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.5609572
• LogD (pH = 7.4): -1.233814
• Log P: 0.5997841
• Molar Refractivity: 57.0653 cm^3
• Polarizability: 22.856743 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant