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Molecule
1,2,2,6,6-Pentamethylpiperidine
CAS: 79-55-0 · C10H21N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 79-55-0
- Molecular Formula
- C10H21N
- Molecular Mass
- 155.29 g/mol
Identifiers
CAS Registry Number
79-55-0
SMILES
CN1C(C)(C)CCCC1(C)C
InChI Key
XULIXFLCVXWHRF-UHFFFAOYSA-N
InChI
InChI=1S/C10H21N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3
Names and Synonyms
- 1,2,2,6,6-Pentamethylpiperidine Systematic Name
- Piperidine, 1,2,2,6,6-pentamethyl- Synonym
- 1,2,2,6,6-Pentamethylpiperidine Synonym
- M&B 4486 Synonym
- Pempidine Synonym
- Pyrilene Synonym
- N-Methyl-2,2,6,6-tetramethylpiperidine Synonym
- 2,2,6,6,N-Pentamethylpiperidine Synonym
- N,2,2,6,6-Pentamethylpiperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.29 g/mol | CAS Common Chemistry |
| 155.285 g/mol | RDKit | |
| Boiling Point | 147 °C | CAS Common Chemistry |
| Canonical SMILES | N1(C)C(C)(C)CCCC1(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H21N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XULIXFLCVXWHRF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | 1,2,2,6,6-Pentamethylpiperidine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 2.659300000000001 | RDKit |
| 2.6593 | RDKit | |
| Molar Refractivity | 49.772000000000034 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 155.167399672 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
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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MW = 155.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H21N.
