Back to Search
N-Formylpiperidine
CAS: 2591-86-8 | C6H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2591-86-8
Molecular Formula:
C6H11NO
Molecular Mass:
113.16 g/mol
Names and Synonyms:
N-Formylpiperidine
1-Piperidinecarboxaldehyde
Piperidine, 1-formyl-
N-Formylpiperidine
Formylpiperidine
1-Formylpiperidine
Piperidinoformamide
NFP
Formylpiperidide
N-Piperidinecarboxaldehyde
NSC 1066
NSC 404158
N-Carbaldehyde piperidine
N,N-Formylpiperidine
Identifiers:
SMILES:
O=CN1CCCCC1
InChI:
InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
Key Properties
Boiling Point
222.5 °C
CAS Common Chemistry
Melting Point
-30.8 °C
CAS Common Chemistry
Density
1.02 g/cm³
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 | 113.16 g/mol | CAS Common Chemistry |
| 113.16000000000001 g/mol | RDKit | |
| 113.084063972 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.0198 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Formylpiperidine | CAS Common Chemistry |
| Boiling Point | 222.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=CN1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FEWLNYSYJNLUOO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -30.8 °C | CAS Common Chemistry |
| Name | 1-Piperidinecarboxaldehyde | CAS Common Chemistry |
| N-Formylpiperidine | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 0.6286999999999999 | RDKit |
| Molar Refractivity | 31.487999999999985 | RDKit |
