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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
Names and Synonyms:
4-(1-Piperazinylacetyl)Morpholine
1-Morpholino-2-(piperazin-1-yl)ethanone
1-(Morpholin-4-yl)-2-(piperazin-1-yl)ethan-1-one
1-Morpholino-2-(piperazin-1-yl)ethan-1-one
Ethanone, 1-(4-morpholinyl)-2-(1-piperazinyl)-
Morpholine, 4-(1-piperazinylacetyl)-
1-(4-Morpholinyl)-2-(1-piperazinyl)ethanone
1-(Morpholinocarbonylmethyl)piperazine
4-(1-Piperazinylacetyl)morpholine
4-[2-(Piperazin-1-yl)acetyl]morpholine
NSC 332546
1-(Morpholin-4-yl)-2-(piperazin-1-yl)ethanone
Identifiers:
SMILES:
O=C(CN1CCNCC1)N1CCOCC1
InChI:
InChI=1S/C10H19N3O2/c14-10(13-5-7-15-8-6-13)9-12-3-1-11-2-4-12/h11H,1-9H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.28 g/mol | CAS Common Chemistry |
| 213.28099999999995 g/mol | RDKit | |
| 213.147726848 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 |
| LogP | -1.249599999999998 | RDKit |
| Molar Refractivity | 56.708700000000036 | RDKit |
