Back to Search
(Piperazin-1-Yl)(Tetrahydrofuran-2-Yl)Methanone
CAS: 63074-07-7 | C9H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
63074-07-7
Molecular Formula:
C9H16N2O2
Molecular Mass:
184.24 g/mol
Names and Synonyms:
(Piperazin-1-Yl)(Tetrahydrofuran-2-Yl)Methanone
Methanone, 1-piperazinyl(tetrahydro-2-furanyl)-
Piperazine, 1-[(tetrahydro-2-furanyl)carbonyl]-
1-Piperazinyl(tetrahydro-2-furanyl)methanone
N-(Tetrahydro-2-furoyl)piperazine
1-(Tetrahydro-2-furoyl)piperazine
1-(Tetrahydrofuran-2-carbonyl)piperazine
1-(Tetrahydrofuran-2-ylcarbonyl)piperazine
(Piperazin-1-yl)(tetrahydrofuran-2-yl)methanone
1-[(2,3,4,5-Tetrahydrofuran-2-yl)carbonyl]piperazine
4-[(Tetrahydrofuran-2-yl)carbonyl]piperazine
1-(Oxolane-2-carbonyl)piperazine
Identifiers:
SMILES:
O=C(C1CCCO1)N1CCNCC1
InChI:
InChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2
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 | 184.24 g/mol | CAS Common Chemistry |
| 184.239 g/mol | RDKit | |
| 184.121177752 g/mol | RDKit | |
| Canonical SMILES | O=C(N1CCNCC1)C2OCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UKESBLFBQANJHH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Piperazin-1-yl)(tetrahydrofuran-2-yl)methanone | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.57 Ų | RDKit |
| LogP | -0.40279999999999916 | RDKit |
| Molar Refractivity | 48.42370000000003 | RDKit |
