methyl 2-(piperazin-1-yl)acetate

• ChemBase ID: 309002
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: N1(CC(=O)OC)CCNCC1
• Canonical SMILES: COC(=O)CN1CCNCC1
• InChI: InChI=1S/C7H14N2O2/c1-11-7(10)6-9-4-2-8-3-5-9/h8H,2-6H2,1H3
• InChIKey: UHHVABRWHRKEPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(piperazin-1-yl)acetate
• IUPAC Traditional name: methyl 2-(piperazin-1-yl)acetate
• Synonyms: methyl 1-piperazinylacetate

Database IDs

• CAS Number: 82516-17-4
• MDL Number: MFCD07781038

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8385108
• LogD (pH = 7.4): -2.5257
• Log P: -0.7218815
• Molar Refractivity: 41.5972 cm^3
• Polarizability: 16.72713 Å^3
• Polar Surface Area: 41.57 Å^2