Back to Search
Tert-Butyl 4-Oxopiperidine-1-Carboxylate
CAS: 79099-07-3 | C10H17NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79099-07-3
Molecular Formula:
C10H17NO3
Molecular Mass:
199.25 g/mol
Names and Synonyms:
Tert-Butyl 4-Oxopiperidine-1-Carboxylate
1-Piperidinecarboxylic acid, 4-oxo-, 1,1-dimethylethyl ester
1-(tert-Butoxycarbonyl)-4-piperidinone
N-(tert-Butoxycarbonyl)-4-piperidinone
N-(tert-Butyloxycarbonyl)-4-piperidone
N-BOC-4-piperidone
1-(tert-Butoxycarbonyl)-4-piperidone
1-BOC-4-piperidone
4-Keto-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
1,1-Dimethylethyl 4-oxo-1-piperidinecarboxylate
tert-Butyl 4-oxo-1-piperidinecarboxylate
4-Oxopiperidine-1-carboxylic acid tert-butyl ester
4-Oxo-N-Boc-piperidine
1-(tert-Butyloxycarbonyl)-4-piperidone
4-Oxo-1-(tert-butoxycarbonyl)piperidine
1-(tert-Butoxycarbonyl)-4-oxopiperidine
4-Oxopiperidine-1-carboxylic acid tert-butyl ester
N-(tert-Butoxycarbonyl)-4-piperidone
1-(tert-Butyloxycarbonyl)-4-piperidinone
4-Oxo-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
N-(tert-Butyloxycarbonyl)piperidin-4-one
N-Boc-piperidin-4-one
N-Boc-4-oxopiperidine
1-Boc-4-oxopiperidine
1-Boc-piperidin-4-one
4-Oxopiperidin-1-carboxylic acid tert-butyl ester
N-Boc-piperidine-4-one
tert-Butyl 4-oxopiperidine-1-carboxylate
tert-Butyl tert-butyl 4-oxopiperidine-1-carboxylate
Identifiers:
SMILES:
CC(C)(C)OC(=O)N1CCC(=O)CC1
InChI:
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h4-7H2,1-3H3
Key Properties
Melting Point
64-65 °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 | 199.25 g/mol | CAS Common Chemistry |
| 199.24999999999994 g/mol | RDKit | |
| 199.120843404 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)N1CCC(=O)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ROUYFJUVMYHXFJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64-65 °C | CAS Common Chemistry |
| Name | tert-Butyl 4-oxopiperidine-1-carboxylate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.61 Ų | RDKit |
| LogP | 1.5864 | RDKit |
| Molar Refractivity | 52.04800000000004 | RDKit |
