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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
Names and Synonyms:
4-Hydroxypiperidine-1-Carboxylic Acid Tert-Butyl Ester
1-Piperidinecarboxylic acid, 4-hydroxy-, 1,1-dimethylethyl ester
N-(tert-Butoxycarbonyl)-4-hydroxypiperidine
N-(tert-Butoxycarbonyl)piperidin-4-ol
1-(tert-Butoxycarbonyl)-4-hydroxypiperidine
4-Hydroxy-1-(tert-butoxycarbonyl)piperidine
1-tert-Butoxycarbonyl-4-piperidinol
4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester
tert-Butyl 4-hydroxy-1-piperidinecarboxylate
N-Boc-4-hydroxypiperidine
1,1-Dimethylethyl 4-hydroxypiperidine-1-carboxylate
N-(tert-Butyloxycarbonyl)-4-piperidinol
4-Hydroxy-1-piperidinecarboxylic acid tert-butyl ester
1-Boc-4-hydroxypiperidine
1-(tert-Butyloxycarbonyl)piperidin-4-ol
1-tert-Butyloxycarbonyl-4-hydroxypiperidine
N-Boc-4-piperidinol
N-(tert-Butyloxycarbonyl)-4-hydroxypiperidine
4-Hydroxy-N-Boc-piperidine
1-Boc-piperidin-4-ol
N-Boc-4-hydroxy-1-piperidine
4-Hydroxy-N-(tert-butoxycarbonyl)piperidine
4-Hydroxy-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
2-Methylpropan-2-yl 4-hydroxypiperidine-1-carboxylate
4-Hydroxy-1-Boc-piperidine
tert-Butyl 4-hydroxylpiperidine-1-carboxylate
tert-Butyl 4-hydroxypiperidin-1-carboxylate
Identifiers:
SMILES:
CC(C)(C)OC(=O)N1CCC(O)CC1
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
Key Properties
Melting Point
156-158 °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 | 201.27 g/mol | CAS Common Chemistry |
| 201.26599999999996 g/mol | RDKit | |
| 201.136493468 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 |
| LogP | 1.3781999999999999 | RDKit |
| Molar Refractivity | 53.04780000000004 | RDKit |
