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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
Names and Synonyms:
1,2,2,6,6-Pentamethylpiperidine
Piperidine, 1,2,2,6,6-pentamethyl-
1,2,2,6,6-Pentamethylpiperidine
M&B 4486
Pempidine
Pyrilene
N-Methyl-2,2,6,6-tetramethylpiperidine
2,2,6,6,N-Pentamethylpiperidine
N,2,2,6,6-Pentamethylpiperidine
Identifiers:
SMILES:
CN1C(C)(C)CCCC1(C)C
InChI:
InChI=1S/C10H21N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3
Key Properties
Boiling Point
147 °C
CAS Common Chemistry
Melting Point
<25 °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 | 155.29 g/mol | CAS Common Chemistry |
| 155.285 g/mol | RDKit | |
| 155.167399672 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 |
| LogP | 2.659300000000001 | RDKit |
| Molar Refractivity | 49.772000000000034 | RDKit |
