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1-(2-Chloroethyl)Piperidine
CAS: 1932-03-2 | C7H14ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1932-03-2
Molecular Formula:
C7H14ClN
Molecular Weight:
147.64899999999997 g/mol
Names and Synonyms:
1-(2-Chloroethyl)Piperidine
2-Chloroethyl piperidine
2-Piperidino-1-chloroethane
1-(3-Chloroethyl)piperidine
2-(Piperidin-1-yl)ethyl chloride
1-(β-Chloroethyl)piperidine
1-Piperidino-2-chloroethane
N-(2-Chlorethyl)piperidine
1-Chloro-2-piperidinoethane
β-Piperidinoethyl chloride
2-(1-Piperidyl)ethyl chloride
2-Piperidinoethyl chloride
SKF 191
N-(2-Chloroethyl)piperidine
N-(β-Chloroethyl)piperidine
1-(2-Chloroethyl)piperidine
Piperidine, 1-(2-chloroethyl)-
Identifiers:
SMILES:
ClCCN1CCCCC1
InChI:
InChI=1S/C7H14ClN/c8-4-7-9-5-2-1-3-6-9/h1-7H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 147.64899999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 147.081477128 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 3.24 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.7111 | RDKit |
| molecular_mass | 147.65 g/mol | Legacy Database |
| cas-boiling-point | 47 °C @ Press: 1 Torr None | Legacy Database |
| cas-canonical-smile | ClCCN1CCCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H14ClN/c8-4-7-9-5-2-1-3-6-9/h1-7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=WNRWEBKEQARBKV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 229-230 °C @ Solvent: Chloroform, Acetone None | Legacy Database |
| cas-name | 1-(2-Chloroethyl)piperidine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 41.01100000000001 | RDKit |
