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Molecule
1,1-Dimethylethyl 1-Piperidinecarboxylate
CAS: 75844-69-8 · C10H19NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 75844-69-8
- Molecular Formula
- C10H19NO2
- Molecular Mass
- 185.27 g/mol
Identifiers
CAS Registry Number
75844-69-8
SMILES
CC(C)(C)OC(=O)N1CCCCC1
InChI Key
RQCNHUCCQJMSRG-UHFFFAOYSA-N
InChI
InChI=1S/C10H19NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-8H2,1-3H3
Names and Synonyms
- 1,1-Dimethylethyl 1-Piperidinecarboxylate Systematic Name
- 1-Piperidinecarboxylic acid, 1,1-dimethylethyl ester Synonym
- 1,1-Dimethylethyl 1-piperidinecarboxylate Synonym
- tert-Butyl 1-piperidinecarboxylate Synonym
- Piperidine-1-carboxylic acid tert-butyl ester Synonym
- 1-(tert-Butoxycarbonyl)piperidine Synonym
- N-(tert-Butoxycarbonyl)piperidine Synonym
- Boc-piperidine Synonym
- 1-Boc-Piperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 185.27 g/mol | CAS Common Chemistry |
| 185.26699999999994 g/mol | RDKit | |
| 185.267 g/mol | RDKit | |
| 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 |
| 29.31 Ų | chempirical lib | |
| LogP | 2.407400000000001 | RDKit |
| 2.4074 | RDKit | |
| Molar Refractivity | 51.65800000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 185.141578848 g/mol | RDKit |
| Boiling Point | 110-120 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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.
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MW = 185.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H19NO2.
