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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
Names and Synonyms:
1-(4-Nitrophenyl)Piperidine
Piperidine, 1-(4-nitrophenyl)-
Piperidine, 1-(p-nitrophenyl)-
1-(4-Nitrophenyl)piperidine
N-(p-Nitrophenyl)piperidine
p-(1-Piperidinyl)nitrobenzene
p-Nitropiperidinobenzene
4-Piperidinonitrobenzene
N-(4-Nitrophenyl)piperidine
1-(p-Nitrophenyl)piperidine
NSC 15441
Identifiers:
SMILES:
O=[N+]([O-])c1ccc(N2CCCCC2)cc1
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
Key Properties
Melting Point
114 °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 | 206.24 g/mol | CAS Common Chemistry |
| 206.24499999999995 g/mol | RDKit | |
| 206.105527688 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 |
| Molar Refractivity | 59.16040000000004 | RDKit |
