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N-Boc-Piperazine
CAS: 57260-71-6 | C9H18N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57260-71-6
Molecular Formula:
C9H18N2O2
Molecular Mass:
186.26 g/mol
Names and Synonyms:
N-Boc-Piperazine
1-Piperazinecarboxylic acid, 1,1-dimethylethyl ester
1-(tert-Butoxycarbonyl)piperazine
N-(tert-Butoxycarbonyl)piperazine
tert-Butyl 1-piperazinecarboxylate
1-[(1,1-Dimethylethoxy)carbonyl]piperazine
1,1-Dimethylethyl 1-piperazinecarboxylate
1-(tert-Butyloxycarbonyl)piperazine
1-Piperazinecarboxylic acid tert-butyl ester
N-tert-Butyloxycarbonylpiperazine
N-BOC-Piperazine
4-(tert-Butyloxycarbonyl)piperazine
1,1-Dimethylethyl piperazin-1-carboxylate
tert-Butoxy piperazine-1-carboxylate
Mono-tert-butoxycarbonylpiperazine
tert-Butyl piperazin-1-carboxylate
N-tert-Butoxycarbonylpiperazine
CD 3-3022
Identifiers:
SMILES:
CC(C)(C)OC(=O)N1CCNCC1
InChI:
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
Key Properties
Melting Point
70 °C
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 | 186.26 g/mol | CAS Common Chemistry |
| 186.25499999999997 g/mol | RDKit | |
| 186.136827816 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)N1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CWXPZXBSDSIRCS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70 °C | CAS Common Chemistry |
| Name | N-BOC-Piperazine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.57 Ų | RDKit |
| LogP | 0.8267 | RDKit |
| Molar Refractivity | 50.67670000000003 | RDKit |
