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Molecule
2-Piperidinol
CAS: 45506-41-0 · C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 45506-41-0
- Molecular Formula
- C5H11NO
- Molecular Mass
- 101.15 g/mol
Identifiers
CAS Registry Number
45506-41-0
SMILES
OC1CCCCN1
InChI Key
LEGMHPGYPXPXKB-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO/c7-5-3-1-2-4-6-5/h5-7H,1-4H2
Names and Synonyms
- 2-Piperidinol Systematic Name
- 2-Piperidinol Synonym
- 2-Hydroxypiperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.15 g/mol | CAS Common Chemistry |
| 101.149 g/mol | RDKit | |
| Canonical SMILES | OC1NCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO/c7-5-3-1-2-4-6-5/h5-7H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LEGMHPGYPXPXKB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Piperidinol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 0.07830000000000009 | RDKit |
| 0.0783 | RDKit | |
| Molar Refractivity | 27.86049999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 101.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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.
External Resources
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MW = 101.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11NO.
