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(S)-Tert-Butyl 3-Aminopiperidine-1-Carboxylate
CAS: 625471-18-3 | C10H20N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
625471-18-3
Molecular Formula:
C10H20N2O2
Molecular Mass:
200.28 g/mol
Names and Synonyms:
(S)-Tert-Butyl 3-Aminopiperidine-1-Carboxylate
1-Piperidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (3S)-
1,1-dimethylethyl (3S)-3-aminopiperidine-1-carboxylate
(S)-3-Amino-1-Boc-Piperidine
tert-Butyl (3S)-3-aminopiperidine-1-carboxylate
(S)-3-Aminopiperidine-1-carboxylic acid tert-butyl ester
(S)-tert-Butyl 3-aminopiperidine-1-carboxylate
(3S)-Aminopiperidine-1-carboxylic acid tert-butyl ester
(S)-1-tert-Butoxycarbonyl-3-aminopiperidine
3-Aminopiperidine-1-carboxylic acid (S)-tert-butyl ester
tert-Butyl (3S)-3-aminopiperidine-1-carboxylate
tert-Butyl (S)-3-aminopiperidine-1-carboxylate
1,1-Dimethylethyl (3S)-3-aminopiperidine-1-carboxylate
(S)-3-Amino-1-(tert-butoxycarbonyl)piperidine
(S)-1-Boc-3-aminopiperidine
(S)-(+)-1-Boc-3-aminopiperidine
(S)-tert-Butyl3-aminopiperidinecarboxylate
Identifiers:
SMILES:
CC(C)(C)OC(=O)N1CCC[C@H](N)C1
InChI:
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7,11H2,1-3H3/t8-/m0/s1
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 | 200.28 g/mol | CAS Common Chemistry |
| 200.28199999999995 g/mol | RDKit | |
| 200.15247788 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)N1CCCC(N)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7,11H2,1-3H3/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AKQXKEBCONUWCL-QMMMGPOBSA-N | CAS Common Chemistry |
| Name | (S)-tert-Butyl 3-aminopiperidine-1-carboxylate | 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 | 55.56 Ų | RDKit |
| LogP | 1.3446 | RDKit |
| Molar Refractivity | 55.01640000000003 | RDKit |
