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1,1-Dimethylethyl 1-Piperidinecarboxylate
CAS: 75844-69-8 | C10H19NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75844-69-8
Molecular Formula:
C10H19NO2
Molecular Mass:
185.27 g/mol
Names and Synonyms:
1,1-Dimethylethyl 1-Piperidinecarboxylate
1-Piperidinecarboxylic acid, 1,1-dimethylethyl ester
1,1-Dimethylethyl 1-piperidinecarboxylate
tert-Butyl 1-piperidinecarboxylate
Piperidine-1-carboxylic acid tert-butyl ester
1-(tert-Butoxycarbonyl)piperidine
N-(tert-Butoxycarbonyl)piperidine
Boc-piperidine
1-Boc-Piperidine
Identifiers:
SMILES:
CC(C)(C)OC(=O)N1CCCCC1
InChI:
InChI=1S/C10H19NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-8H2,1-3H3
Key Properties
Boiling Point
110-120 °C @ Press: 2 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 | 185.27 g/mol | CAS Common Chemistry |
| 185.26699999999994 g/mol | RDKit | |
| 185.141578848 g/mol | RDKit | |
| Boiling Point | 110-120 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC(C)(C)C)N1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H19NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-8H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RQCNHUCCQJMSRG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dimethylethyl 1-piperidinecarboxylate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| LogP | 2.407400000000001 | RDKit |
| Molar Refractivity | 51.65800000000004 | RDKit |
