Back to Search
1-(2-Chloroethyl)Piperidine Hydrochloride
CAS: 2008-75-5 | C7H15Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2008-75-5
Molecular Formula:
C7H15Cl2N
Molecular Mass:
184.11 g/mol
Names and Synonyms:
1-(2-Chloroethyl)Piperidine Hydrochloride
Piperidine, 1-(2-chloroethyl)-, hydrochloride (1:1)
Piperidine, 1-(2-chloroethyl)-, hydrochloride
N-(β-Chloroethyl)piperidine hydrochloride
1-Chloro-2-piperidinoethane hydrochloride
2-Piperidinoethyl chloride hydrochloride
1-(2-Chloroethyl)piperidine hydrochloride
N-(2-Chloroethyl)piperidine hydrochloride
2-Piperidino-1-chloroethane hydrochloride
2-(Piperidin-1-yl)ethyl chloride hydrochloride
1-(2-Chloroethyl)piperidine monohydrochloride
2-(1-Piperidinyl)-1-chloroethane hydrochloride
1-(2-Chloroethyl)piperidinium chloride
1-Chloro-2-(1-piperidinyl)ethane monohydrochloride
Identifiers:
SMILES:
Cl.ClCCN1CCCCC1
InChI:
InChI=1S/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H
Key Properties
Boiling Point
196 °C
CAS Common Chemistry
Melting Point
231 °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 | 184.11 g/mol | CAS Common Chemistry |
| 184.10999999999996 g/mol | RDKit | |
| 183.05815484 g/mol | RDKit | |
| Boiling Point | 196 °C | CAS Common Chemistry |
| Canonical SMILES | Cl.ClCCN1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=VFLQQZCRHPIGJU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 231 °C | CAS Common Chemistry |
| Name | 1-(2-Chloroethyl)piperidine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 2.1329000000000002 | RDKit |
| Molar Refractivity | 48.259000000000036 | RDKit |
