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1-(2-Furoyl)Piperazine
CAS: 40172-95-0 | C9H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
40172-95-0
Molecular Formula:
C9H12N2O2
Molecular Mass:
180.21 g/mol
Names and Synonyms:
1-(2-Furoyl)Piperazine
Methanone, 2-furanyl-1-piperazinyl-
Piperazine, 1-(2-furanylcarbonyl)-
2-Furanyl-1-piperazinylmethanone
N-(2-Furoyl)piperazine
1-(2-Furoyl)piperazine
1-(2-Furylcarbonyl)piperazine
1-(2-Furanylcarbonyl)piperazine
1-(Furan-2-carbonyl)piperazine
(Furan-2-yl)(piperazin-1-yl)methanone
4-(Furan-2-ylcarbonyl)piperazine
N-(2-Furancarbonyl)piperazine
N-(Furan-2-oyl)piperazine
1-(2-Furanoyl)piperazine
Identifiers:
SMILES:
O=C(c1ccco1)N1CCNCC1
InChI:
InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
Key Properties
Boiling Point
137-140 °C @ Press: 0.1 Torr
CAS Common Chemistry
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 | 180.21 g/mol | CAS Common Chemistry |
| 180.20699999999997 g/mol | RDKit | |
| 180.089877624 g/mol | RDKit | |
| Boiling Point | 137-140 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1OC=CC1)N2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SADPINFEWFPMEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(2-Furoyl)piperazine | 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 | 1 | RDKit |
| Topological Polar Surface Area | 45.480000000000004 Ų | RDKit |
| LogP | 0.325 | RDKit |
| Molar Refractivity | 47.48120000000002 | RDKit |
