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Molecule
1-Aminopiperidine
CAS: 2213-43-6 · C5H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2213-43-6
- Molecular Formula
- C5H12N2
- Molecular Mass
- 100.17 g/mol
Identifiers
CAS Registry Number
2213-43-6
SMILES
NN1CCCCC1
InChI Key
LWMPFIOTEAXAGV-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2/c6-7-4-2-1-3-5-7/h1-6H2
Names and Synonyms
- 1-Aminopiperidine Systematic Name
- 1-Piperidineamine Synonym
- 1-Piperidylamine Synonym
- NSC 83225 Synonym
- 1-Piperidinamine Synonym
- Piperidine, 1-amino- Synonym
- N-Aminopiperidine Synonym
- 1-Aminopiperidine Synonym
- Pentamethylenehydrazine Synonym
- Piperidin-1-ylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 100.17 g/mol | CAS Common Chemistry |
| 100.165 g/mol | RDKit | |
| Boiling Point | 147 °C | CAS Common Chemistry |
| Canonical SMILES | NN1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2/c6-7-4-2-1-3-5-7/h1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LWMPFIOTEAXAGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Aminopiperidine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 0.34599999999999964 | RDKit |
| 0.346 | RDKit | |
| Molar Refractivity | 29.61139999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 100.10004838399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 100.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12N2.
