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Molecule
1,2,2,6,6-Pentamethyl-4-Piperidinol
CAS: 2403-89-6 · C10H21NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2403-89-6
- Molecular Formula
- C10H21NO
- Molecular Mass
- 171.28 g/mol
Identifiers
CAS Registry Number
2403-89-6
SMILES
CN1C(C)(C)CC(O)CC1(C)C
InChI Key
NWHNXXMYEICZAT-UHFFFAOYSA-N
InChI
InChI=1S/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3
Names and Synonyms
- 1,2,2,6,6-Pentamethyl-4-Piperidinol Synonym
- 4-Piperidinol, 1,2,2,6,6-pentamethyl- Synonym
- 1,2,2,6,6-Pentamethyl-4-piperidinol Synonym
- 1,2,2,6,6-Pentamethyl-4-hydroxypiperidine Synonym
- 4-Hydroxy-1,2,2,6,6-pentamethylpiperidine Synonym
- HOPEMP Synonym
- NSC 364075 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 171.28 g/mol | CAS Common Chemistry |
| 171.28399999999996 g/mol | RDKit | |
| 171.284 g/mol | RDKit | |
| 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 |
| 23.24 Ų | chempirical lib | |
| LogP | 1.6300999999999999 | RDKit |
| 1.6301 | RDKit | |
| Molar Refractivity | 51.161800000000035 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 171.162314292 g/mol | RDKit |
| Boiling Point | 122-125 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 171.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H21NO.
