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Molecule
1-(2-Chloroethyl)Piperidine
CAS: 1932-03-2 · C7H14ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1932-03-2
- Molecular Formula
- C7H14ClN
- Molecular Mass
- 147.65 g/mol
Identifiers
CAS Registry Number
1932-03-2
SMILES
ClCCN1CCCCC1
InChI Key
WNRWEBKEQARBKV-UHFFFAOYSA-N
InChI
InChI=1S/C7H14ClN/c8-4-7-9-5-2-1-3-6-9/h1-7H2
Names and Synonyms
- 1-(2-Chloroethyl)Piperidine Systematic Name
- Piperidine, 1-(2-chloroethyl)- Synonym
- 1-(2-Chloroethyl)piperidine Synonym
- N-(β-Chloroethyl)piperidine Synonym
- N-(2-Chloroethyl)piperidine Synonym
- SKF 191 Synonym
- 2-Piperidinoethyl chloride Synonym
- 2-(1-Piperidyl)ethyl chloride Synonym
- β-Piperidinoethyl chloride Synonym
- 1-Chloro-2-piperidinoethane Synonym
- N-(2-Chlorethyl)piperidine Synonym
- 1-Piperidino-2-chloroethane Synonym
- 1-(β-Chloroethyl)piperidine Synonym
- 2-(Piperidin-1-yl)ethyl chloride Synonym
- 1-(3-Chloroethyl)piperidine Synonym
- 2-Piperidino-1-chloroethane Synonym
- 2-Chloroethyl piperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.65 g/mol | CAS Common Chemistry |
| 147.64899999999997 g/mol | RDKit | |
| 147.649 g/mol | RDKit | |
| 147.646 g/mol | chempirical lib | |
| Canonical SMILES | ClCCN1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14ClN/c8-4-7-9-5-2-1-3-6-9/h1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WNRWEBKEQARBKV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 229-230 °C @ Solvent: Chloroform, Acetone | CAS Common Chemistry |
| Name | 1-(2-Chloroethyl)piperidine | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 1.7111 | RDKit |
| Molar Refractivity | 41.01100000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 147.081477128 g/mol | RDKit |
| Boiling Point | 47 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 147.65 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H14ClN.
