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Molecule
1-Ethyl-3-Piperidinol
CAS: 13444-24-1 · C7H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13444-24-1
- Molecular Formula
- C7H15NO
- Molecular Mass
- 129.20 g/mol
Identifiers
CAS Registry Number
13444-24-1
SMILES
CCN1CCCC(O)C1
InChI Key
ZNPSUOAGONLMLK-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO/c1-2-8-5-3-4-7(9)6-8/h7,9H,2-6H2,1H3
Names and Synonyms
- 1-Ethyl-3-Piperidinol Synonym
- 3-Piperidinol, 1-ethyl- Synonym
- 1-Ethyl-3-piperidinol Synonym
- N-Ethyl-3-piperidinol Synonym
- 3-Hydroxy-1-ethylpiperidine Synonym
- 1-Ethyl-3-hydroxypiperidine Synonym
- N-Ethyl-3-hydroxypiperidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.20 g/mol | CAS Common Chemistry |
| 129.20299999999997 g/mol | RDKit | |
| 129.203 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.966 g/cm3 @ 23 °C | CAS Common Chemistry | |
| Boiling Point | 94 °C | CAS Common Chemistry |
| Canonical SMILES | OC1CN(CC)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO/c1-2-8-5-3-4-7(9)6-8/h7,9H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZNPSUOAGONLMLK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | 1-Ethyl-3-piperidinol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 0.4629999999999999 | RDKit |
| 0.463 | RDKit | |
| Molar Refractivity | 37.3548 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 129.1153641 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
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 |
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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 = 129.20 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15NO.
