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3-Hydroxypiperidine Hydrochloride
CAS: 64051-79-2 | C5H12ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
64051-79-2
Molecular Formula:
C5H12ClNO
Molecular Mass:
137.61 g/mol
Names and Synonyms:
3-Hydroxypiperidine Hydrochloride
3-Piperidinol, hydrochloride (1:1)
3-Piperidinol, hydrochloride
3-Hydroxypiperidine hydrochloride
Identifiers:
SMILES:
Cl.OC1CCCNC1
InChI:
InChI=1S/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H
Key Properties
Melting Point
249-250 °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 | 137.61 g/mol | CAS Common Chemistry |
| 137.060741684 g/mol | RDKit | |
| Canonical SMILES | Cl.OC1CNCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=VLECDMDGMKPUSK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 249-250 °C | CAS Common Chemistry |
| Name | 3-Hydroxypiperidine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 0.1524999999999999 | RDKit |
| Molar Refractivity | 35.3585 | RDKit |
