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Molecule
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
Identifiers
CAS Registry Number
2591-86-8
SMILES
O=CN1CCCCC1
InChI Key
FEWLNYSYJNLUOO-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
Names and Synonyms
- N-Formylpiperidine Synonym
- 1-Piperidinecarboxaldehyde Synonym
- Piperidine, 1-formyl- Synonym
- N-Formylpiperidine Synonym
- Formylpiperidine Synonym
- 1-Formylpiperidine Synonym
- Piperidinoformamide Synonym
- NFP Synonym
- Formylpiperidide Synonym
- N-Piperidinecarboxaldehyde Synonym
- NSC 1066 Synonym
- NSC 404158 Synonym
- N-Carbaldehyde piperidine Synonym
- N,N-Formylpiperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.16 g/mol | CAS Common Chemistry |
| 113.16000000000001 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.0198 g/cm3 @ 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 |
| 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 |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 0.6286999999999999 | RDKit |
| 0.6287 | RDKit | |
| Molar Refractivity | 31.487999999999985 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 113.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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.
External Resources
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Quick conversion
MW = 113.16 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H11NO.
