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Molecule
1-Piperidineethanol
CAS: 3040-44-6 · C7H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3040-44-6
- Molecular Formula
- C7H15NO
- Molecular Mass
- 129.20 g/mol
Identifiers
CAS Registry Number
3040-44-6
SMILES
OCCN1CCCCC1
InChI Key
KZTWONRVIPPDKH-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2
Names and Synonyms
- 1-Piperidineethanol Synonym
- N-(2-Hydroxyethyl)piperidine Synonym
- 1-Piperidineethanol Synonym
- 2-Piperidinoethanol Synonym
- 2-(1-Piperidinyl)ethanol Synonym
- β-Piperidinoethanol Synonym
- 1-(2-Hydroxyethyl)piperidine Synonym
- N-(β-Hydroxyethyl)piperidine Synonym
- N-Piperidineethanol Synonym
- N-Piperidinoethanol Synonym
- 2-(N-Piperidino)ethanol Synonym
- 2-(1-Piperidino)ethanol Synonym
- 2-(Piperid-1-yl)ethanol Synonym
- NSC 3460 Synonym
- 2-(Piperidine-1-yl)ethanol Synonym
- 2-(Piperidin-1-yl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.20 g/mol | CAS Common Chemistry |
| 129.203 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9732 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 202 °C | CAS Common Chemistry |
| Canonical SMILES | OCCN1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KZTWONRVIPPDKH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 17.9 °C | CAS Common Chemistry |
| Name | 1-Piperidineethanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 0.4645999999999997 | RDKit |
| 0.4646 | RDKit | |
| Molar Refractivity | 37.3768 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
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| 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.
