Back to Search
1-(Oxetan-3-Yl)Piperazine
CAS: 1254115-23-5 | C7H14N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1254115-23-5
Molecular Formula:
C7H14N2O
Molecular Weight:
142.202 g/mol
Names and Synonyms:
1-(Oxetan-3-Yl)Piperazine
1-(Oxetan-3-yl)piperazine
1-(3-Oxetanyl)piperazine
Piperazine, 1-(3-oxetanyl)-
Identifiers:
SMILES:
C1CN(C2COC2)CCN1
InChI:
InChI=1S/C7H14N2O/c1-3-9(4-2-8-1)7-5-10-6-7/h7-8H,1-6H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.202 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.110613068 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 24.5 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.7095999999999993 | RDKit |
| molecular_mass | 142.20 g/mol | Legacy Database |
| cas-canonical-smile | O1CC(N2CCNCC2)C1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H14N2O/c1-3-9(4-2-8-1)7-5-10-6-7/h7-8H,1-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=AOYSLJHKVBSXRU-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-(Oxetan-3-yl)piperazine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.0497 | RDKit |
