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Ethyl 1-[(1,1-Dimethylethoxy)Carbonyl]-4-Piperidineacetate
CAS: 135716-09-5 | C14H25NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
135716-09-5
Molecular Formula:
C14H25NO4
Molecular Mass:
271.36 g/mol
Names and Synonyms:
Ethyl 1-[(1,1-Dimethylethoxy)Carbonyl]-4-Piperidineacetate
4-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester
Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-4-piperidineacetate
1-tert-Butoxycarbonyl-4-piperidineacetic acid ethyl ester
2-(1-tert-Butoxycarbonyl-4-piperidyl)acetic acid ethyl ester
4-((Ethoxycarbonyl)methyl)piperidine-1-carboxylic acid tert-butyl ester
(1-(tert-Butoxycarbonyl)piperidin-4-yl)acetic acid ethyl ester
tert-Butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
Identifiers:
SMILES:
CCOC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1
InChI:
InChI=1S/C14H25NO4/c1-5-18-12(16)10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 271.36 g/mol | CAS Common Chemistry |
| 271.357 g/mol | RDKit | |
| 271.17835828 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)N1CCC(CC(=O)OCC)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H25NO4/c1-5-18-12(16)10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PQEXLIRUMIRSAL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-4-piperidineacetate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.84 Ų | RDKit |
| LogP | 2.5867000000000004 | RDKit |
| Molar Refractivity | 71.78100000000005 | RDKit |
