1-(morpholin-4-yl)-2-(piperazin-1-yl)ethane-1,2-dione

• ChemBase ID: 251868
• Molecular Formular: C10H17N3O3
• Molecular Mass: 227.26028
• Monoisotopic Mass: 227.12699142
• SMILES: C(=O)(C(=O)N1CCOCC1)N1CCNCC1
• Canonical SMILES: O=C(C(=O)N1CCNCC1)N1CCOCC1
• InChI: InChI=1S/C10H17N3O3/c14-9(12-3-1-11-2-4-12)10(15)13-5-7-16-8-6-13/h11H,1-8H2
• InChIKey: XHWMCHIHVJSGRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-2-(piperazin-1-yl)ethane-1,2-dione
• IUPAC Traditional name: 1-(morpholin-4-yl)-2-(piperazin-1-yl)ethane-1,2-dione
• Synonyms: 4-[oxo(piperazin-1-yl)acetyl]morpholine

Database IDs

• MDL Number: MFCD07838439
• PubChem SID: 164307778
• PubChem CID: 7131953

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.7370708
• LogD (pH = 7.4): -2.102729
• Log P: -1.7373613
• Molar Refractivity: 57.4997 cm^3
• Polarizability: 22.408407 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): 0.064

Product Information

• Purity: 95%