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Molecule
4-Hydroxypiperidine-1-Carboxylic Acid Tert-Butyl Ester
CAS: 109384-19-2 · C10H19NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 109384-19-2
- Molecular Formula
- C10H19NO3
- Molecular Mass
- 201.27 g/mol
Identifiers
CAS Registry Number
109384-19-2
SMILES
CC(C)(C)OC(=O)N1CCC(O)CC1
InChI Key
PWQLFIKTGRINFF-UHFFFAOYSA-N
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3
Names and Synonyms
- 4-Hydroxypiperidine-1-Carboxylic Acid Tert-Butyl Ester Synonym
- 1-Piperidinecarboxylic acid, 4-hydroxy-, 1,1-dimethylethyl ester Synonym
- N-(tert-Butoxycarbonyl)-4-hydroxypiperidine Synonym
- N-(tert-Butoxycarbonyl)piperidin-4-ol Synonym
- 1-(tert-Butoxycarbonyl)-4-hydroxypiperidine Synonym
- 4-Hydroxy-1-(tert-butoxycarbonyl)piperidine Synonym
- 1-tert-Butoxycarbonyl-4-piperidinol Synonym
- 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester Synonym
- tert-Butyl 4-hydroxy-1-piperidinecarboxylate Synonym
- N-Boc-4-hydroxypiperidine Synonym
- 1,1-Dimethylethyl 4-hydroxypiperidine-1-carboxylate Synonym
- N-(tert-Butyloxycarbonyl)-4-piperidinol Synonym
- 4-Hydroxy-1-piperidinecarboxylic acid tert-butyl ester Synonym
- 1-Boc-4-hydroxypiperidine Synonym
- 1-(tert-Butyloxycarbonyl)piperidin-4-ol Synonym
- 1-tert-Butyloxycarbonyl-4-hydroxypiperidine Synonym
- N-Boc-4-piperidinol Synonym
- N-(tert-Butyloxycarbonyl)-4-hydroxypiperidine Synonym
- 4-Hydroxy-N-Boc-piperidine Synonym
- 1-Boc-piperidin-4-ol Synonym
- N-Boc-4-hydroxy-1-piperidine Synonym
- 4-Hydroxy-N-(tert-butoxycarbonyl)piperidine Synonym
- 4-Hydroxy-1-piperidinecarboxylic acid 1,1-dimethylethyl ester Synonym
- 2-Methylpropan-2-yl 4-hydroxypiperidine-1-carboxylate Synonym
- 4-Hydroxy-1-Boc-piperidine Synonym
- tert-Butyl 4-hydroxylpiperidine-1-carboxylate Synonym
- tert-Butyl 4-hydroxypiperidin-1-carboxylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.27 g/mol | CAS Common Chemistry |
| 201.26599999999996 g/mol | RDKit | |
| 201.266 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)N1CCC(O)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PWQLFIKTGRINFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 156-158 °C | CAS Common Chemistry |
| Name | 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.769999999999996 Ų | RDKit |
| 49.77 Ų | RDKit | |
| 49.54 Ų | chempirical lib | |
| LogP | 1.3781999999999999 | RDKit |
| 1.3782 | RDKit | |
| Molar Refractivity | 53.04780000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 201.136493468 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| 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.
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MW = 201.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H19NO3.
