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Molecule
4-(1-Piperazinylacetyl)Morpholine
CAS: 39890-46-5 · C10H19N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 39890-46-5
- Molecular Formula
- C10H19N3O2
- Molecular Mass
- 213.28 g/mol
Identifiers
CAS Registry Number
39890-46-5
SMILES
O=C(CN1CCNCC1)N1CCOCC1
InChI Key
LISKJKUMLVQGKE-UHFFFAOYSA-N
InChI
InChI=1S/C10H19N3O2/c14-10(13-5-7-15-8-6-13)9-12-3-1-11-2-4-12/h11H,1-9H2
Names and Synonyms
- 4-(1-Piperazinylacetyl)Morpholine Synonym
- 1-Morpholino-2-(piperazin-1-yl)ethanone Synonym
- 1-(Morpholin-4-yl)-2-(piperazin-1-yl)ethan-1-one Synonym
- 1-Morpholino-2-(piperazin-1-yl)ethan-1-one Synonym
- Ethanone, 1-(4-morpholinyl)-2-(1-piperazinyl)- Synonym
- Morpholine, 4-(1-piperazinylacetyl)- Synonym
- 1-(4-Morpholinyl)-2-(1-piperazinyl)ethanone Synonym
- 1-(Morpholinocarbonylmethyl)piperazine Synonym
- 4-(1-Piperazinylacetyl)morpholine Synonym
- 4-[2-(Piperazin-1-yl)acetyl]morpholine Synonym
- NSC 332546 Synonym
- 1-(Morpholin-4-yl)-2-(piperazin-1-yl)ethanone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.28 g/mol | CAS Common Chemistry |
| 213.28099999999995 g/mol | RDKit | |
| 213.281 g/mol | RDKit | |
| Canonical SMILES | O=C(N1CCOCC1)CN2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H19N3O2/c14-10(13-5-7-15-8-6-13)9-12-3-1-11-2-4-12/h11H,1-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LISKJKUMLVQGKE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(1-Piperazinylacetyl)morpholine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.81 Ų | RDKit |
| 44.35 Ų | chempirical lib | |
| LogP | -1.249599999999998 | RDKit |
| -1.2496 | RDKit | |
| Molar Refractivity | 56.708700000000036 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 213.147726848 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 213.28 g/mol. Edit any field — others recompute live.
