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Molecule
2-Piperidineethanol
CAS: 1484-84-0 · C7H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1484-84-0
- Molecular Formula
- C7H15NO
- Molecular Mass
- 129.20 g/mol
Identifiers
CAS Registry Number
1484-84-0
SMILES
OCCC1CCCCN1
InChI Key
PTHDBHDZSMGHKF-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2
Names and Synonyms
- 2-Piperidineethanol Systematic Name
- 2-Piperidineethanol Synonym
- 2-(2-Hydroxyethyl)piperidine Synonym
- 2-(2-Piperidinyl)ethanol Synonym
- (±)-2-Piperidineethanol Synonym
- NSC 9261 Synonym
- 2-Piperidine-2-yl-ethanol Synonym
- 2-(Piperidin-2-yl)ethan-1-ol Synonym
- 2-(2-Piperidyl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.20 g/mol | CAS Common Chemistry |
| 129.20300000000003 g/mol | RDKit | |
| 129.203 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.0106 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 202 °C | CAS Common Chemistry |
| Canonical SMILES | OCCC1NCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PTHDBHDZSMGHKF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69 °C | CAS Common Chemistry |
| Name | 2-Piperidineethanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 0.5108999999999997 | RDKit |
| 0.5109 | RDKit | |
| Molar Refractivity | 37.3445 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
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.
External Resources
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MW = 129.20 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15NO.
