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Molecule
(R)-(-)-3-Aminopiperidine Dihydrochloride
CAS: 334618-23-4 · C5H14Cl2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 334618-23-4
- Molecular Formula
- C5H14Cl2N2
- Molecular Mass
- 173.09 g/mol
Identifiers
CAS Registry Number
334618-23-4
SMILES
Cl.Cl.N[C@@H]1CCCNC1
InChI Key
GGPNYXIOFZLNKW-ZJIMSODOSA-N
InChI
InChI=1S/C5H12N2.2ClH/c6-5-2-1-3-7-4-5;;/h5,7H,1-4,6H2;2*1H/t5-;;/m1../s1
Names and Synonyms
- (R)-(-)-3-Aminopiperidine Dihydrochloride Common Name
- 3-Piperidinamine, hydrochloride (1:2), (3R)- Synonym
- 3-Piperidinamine, dihydrochloride, (3R)- Synonym
- (R)-3-Aminopiperidine dihydrochloride Synonym
- (R)-(-)-3-Aminopiperidine dihydrochloride Synonym
- (R)-Piperidin-3-amine dihydrochloride Synonym
- (R)-Piperidin-3-amine dihydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.09 g/mol | CAS Common Chemistry |
| 173.087 g/mol | RDKit | |
| 173.081 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NC1CNCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2.2ClH/c6-5-2-1-3-7-4-5;;/h5,7H,1-4,6H2;2*1H/t5-;;/m1../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GGPNYXIOFZLNKW-ZJIMSODOSA-N | CAS Common Chemistry |
| Name | (R)-(-)-3-Aminopiperidine dihydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 0.5407 | RDKit |
| Molar Refractivity | 44.57510000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 172.05340380799998 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 = 173.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H14Cl2N2.
