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1,2,2,6,6-Pentamethyl-4-Piperidinol
CAS: 2403-89-6 | C10H21NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2403-89-6
Molecular Formula:
C10H21NO
Molecular Mass:
171.28 g/mol
Names and Synonyms:
1,2,2,6,6-Pentamethyl-4-Piperidinol
4-Piperidinol, 1,2,2,6,6-pentamethyl-
1,2,2,6,6-Pentamethyl-4-piperidinol
1,2,2,6,6-Pentamethyl-4-hydroxypiperidine
4-Hydroxy-1,2,2,6,6-pentamethylpiperidine
HOPEMP
NSC 364075
Identifiers:
SMILES:
CN1C(C)(C)CC(O)CC1(C)C
InChI:
InChI=1S/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3
Key Properties
Boiling Point
122-125 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
70-72 °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 | 171.28 g/mol | CAS Common Chemistry |
| 171.28399999999996 g/mol | RDKit | |
| 171.162314292 g/mol | RDKit | |
| Boiling Point | 122-125 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1CC(N(C)C(C)(C)C1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NWHNXXMYEICZAT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70-72 °C | CAS Common Chemistry |
| Name | 1,2,2,6,6-Pentamethyl-4-piperidinol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | 1.6300999999999999 | RDKit |
| Molar Refractivity | 51.161800000000035 | RDKit |
