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Molecule
4-(Tert-Butoxycarbonylamino)Piperidine
CAS: 73874-95-0 · C10H20N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 73874-95-0
- Molecular Formula
- C10H20N2O2
- Molecular Mass
- 200.28 g/mol
Identifiers
CAS Registry Number
73874-95-0
SMILES
CC(C)(C)OC(O)=NC1CCNCC1
InChI Key
CKXZPVPIDOJLLM-UHFFFAOYSA-N
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)
Names and Synonyms
- 4-(Tert-Butoxycarbonylamino)Piperidine Synonym
- Carbamic acid, N-4-piperidinyl-, 1,1-dimethylethyl ester Synonym
- Carbamic acid, 4-piperidinyl-, 1,1-dimethylethyl ester Synonym
- tert-Butyl 4-piperidinylcarbamate Synonym
- tert-Butyl 4-piperidylcarbamate Synonym
- 4-(tert-Butoxycarbonylamino)piperidine Synonym
- Piperidin-4-ylcarbamic acid tert-butyl ester Synonym
- 4-[[(1,1-Dimethylethoxy)carbonyl]amino]piperidine Synonym
- 4-((1-tert-Butoxycarbonyl)amino)piperidine Synonym
- 4-(N-tert-Butoxycarbonylamino)piperidine Synonym
- Piperidin-4-ylcarbamic acid tert-butyl ester Synonym
- N-(tert-Butoxycarbonyl)-N-(4-piperidyl)amine Synonym
- tert-Butyl (piperidin-4-yl)carbamate Synonym
- 1,1-Dimethylethyl (4-piperidinyl)carbamate Synonym
- tert-Butyl N-(4-piperidinyl)carbamate Synonym
- 4-[N-(tert-Butyloxycarbonyl)amino]piperidine Synonym
- N-(Piperidin-4-yl)carbamic acid tert-butyl ester Synonym
- tert-Butyl N-(4-piperidyl)carbamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.28 g/mol | CAS Common Chemistry |
| 200.28199999999995 g/mol | RDKit | |
| 200.282 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=CKXZPVPIDOJLLM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(tert-Butoxycarbonylamino)piperidine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 53.85 Ų | RDKit |
| LogP | 1.4674999999999998 | RDKit |
| 1.4675 | RDKit | |
| Molar Refractivity | 56.79350000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 200.15247788 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 200.28 g/mol. Edit any field — others recompute live.
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