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Molecule
1-(1-Cyclohexen-1-Yl)Piperidine
CAS: 2981-10-4 · C11H19N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2981-10-4
- Molecular Formula
- C11H19N
- Molecular Mass
- 165.28 g/mol
Identifiers
CAS Registry Number
2981-10-4
SMILES
C1=C(N2CCCCC2)CCCC1
InChI Key
KPVMGWQGPJULFL-UHFFFAOYSA-N
InChI
InChI=1S/C11H19N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h7H,1-6,8-10H2
Names and Synonyms
- 1-(1-Cyclohexen-1-Yl)Piperidine Synonym
- Piperidine, 1-(1-cyclohexen-1-yl)- Synonym
- 1-(1-Cyclohexen-1-yl)piperidine Synonym
- 1-Piperidinocyclohexene Synonym
- 1-Piperidino-1-cyclohexene Synonym
- 1-Piperidinylcyclohexene Synonym
- 1-(1-Cyclohexenyl)piperidine Synonym
- N-(1-Cyclohexen-1-yl)piperidine Synonym
- N-(1-Cyclohexenyl)piperidine Synonym
- 1-(Cyclohex-1-enyl)piperidine Synonym
- 1-(1-Piperidinyl)cyclohex-1-ene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.28 g/mol | CAS Common Chemistry |
| 165.27999999999997 g/mol | RDKit | |
| Boiling Point | 116-118 °C | CAS Common Chemistry |
| Canonical SMILES | C1=C(N2CCCCC2)CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H19N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h7H,1-6,8-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KPVMGWQGPJULFL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(1-Cyclohexen-1-yl)piperidine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 2.930200000000001 | RDKit |
| 2.9302 | RDKit | |
| Molar Refractivity | 51.975000000000044 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8182 | RDKit |
| 0.82 | chempirical lib | |
| Exact Mass | 165.151749608 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 165.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H19N.
