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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
Names and Synonyms:
1-(1-Cyclohexen-1-Yl)Piperidine
Piperidine, 1-(1-cyclohexen-1-yl)-
1-(1-Cyclohexen-1-yl)piperidine
1-Piperidinocyclohexene
1-Piperidino-1-cyclohexene
1-Piperidinylcyclohexene
1-(1-Cyclohexenyl)piperidine
N-(1-Cyclohexen-1-yl)piperidine
N-(1-Cyclohexenyl)piperidine
1-(Cyclohex-1-enyl)piperidine
1-(1-Piperidinyl)cyclohex-1-ene
Identifiers:
SMILES:
C1=C(N2CCCCC2)CCCC1
InChI:
InChI=1S/C11H19N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h7H,1-6,8-10H2
Key Properties
Boiling Point
116-118 °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 | 165.28 g/mol | CAS Common Chemistry |
| 165.27999999999997 g/mol | RDKit | |
| 165.151749608 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 |
| LogP | 2.930200000000001 | RDKit |
| Molar Refractivity | 51.975000000000044 | RDKit |
