Back to Search
Molecule
1-(4-Nitrophenyl)Piperidine
CAS: 6574-15-8 · C11H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6574-15-8
- Molecular Formula
- C11H14N2O2
- Molecular Mass
- 206.24 g/mol
Identifiers
CAS Registry Number
6574-15-8
SMILES
O=[N+]([O-])c1ccc(N2CCCCC2)cc1
InChI Key
SGPLAXFUDTWHRS-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2O2/c14-13(15)11-6-4-10(5-7-11)12-8-2-1-3-9-12/h4-7H,1-3,8-9H2
Names and Synonyms
- 1-(4-Nitrophenyl)Piperidine Synonym
- Piperidine, 1-(4-nitrophenyl)- Synonym
- Piperidine, 1-(p-nitrophenyl)- Synonym
- 1-(4-Nitrophenyl)piperidine Synonym
- N-(p-Nitrophenyl)piperidine Synonym
- p-(1-Piperidinyl)nitrobenzene Synonym
- p-Nitropiperidinobenzene Synonym
- 4-Piperidinonitrobenzene Synonym
- N-(4-Nitrophenyl)piperidine Synonym
- 1-(p-Nitrophenyl)piperidine Synonym
- NSC 15441 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.24 g/mol | CAS Common Chemistry |
| 206.24499999999995 g/mol | RDKit | |
| 206.245 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(C=C1)N2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H14N2O2/c14-13(15)11-6-4-10(5-7-11)12-8-2-1-3-9-12/h4-7H,1-3,8-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SGPLAXFUDTWHRS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114 °C | CAS Common Chemistry |
| Name | 1-(4-Nitrophenyl)piperidine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.38 Ų | RDKit |
| LogP | 2.5851000000000006 | RDKit |
| 2.5851 | RDKit | |
| Molar Refractivity | 59.16040000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 206.105527688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 206.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H14N2O2.
