1-(morpholin-4-yl)-2-(piperazin-1-yl)ethan-1-one

• ChemBase ID: 15020
• Molecular Formular: C10H19N3O2
• Molecular Mass: 213.27676
• Monoisotopic Mass: 213.14772686
• SMILES: N1(CCNCC1)CC(=O)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)CN1CCNCC1
• InChI: InChI=1S/C10H19N3O2/c14-10(13-5-7-15-8-6-13)9-12-3-1-11-2-4-12/h11H,1-9H2
• InChIKey: LISKJKUMLVQGKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-2-(piperazin-1-yl)ethan-1-one
• IUPAC Traditional name: 1-(morpholin-4-yl)-2-(piperazin-1-yl)ethanone
• Synonyms: N-Piperazineacetic acid morpholine amide; N-Piperazineacetic acid morpholine amide; 1-(4-Morpholino)-2-piperazinoethanone 96%; 1-morpholino-2-(piperazin-1-yl)ethanone; 4-(piperazin-1-ylacetyl)morpholine

Database IDs

• CAS Number: 39890-46-5
• MDL Number: MFCD00006172
• PubChem SID: 160978327
• PubChem CID: 100622

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.4718623
• LogD (pH = 7.4): -2.970035
• Log P: -1.4458665
• Molar Refractivity: 57.5182 cm^3
• Polarizability: 22.662224 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63-65°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 90%