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Molecule
2-Piperidinemethanol
CAS: 3433-37-2 · C6H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3433-37-2
- Molecular Formula
- C6H13NO
- Molecular Mass
- 115.18 g/mol
Identifiers
CAS Registry Number
3433-37-2
SMILES
OCC1CCCCN1
InChI Key
PRAYXGYYVXRDDW-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2
Names and Synonyms
- 2-Piperidinemethanol Synonym
- 2-Piperidinemethanol Synonym
- 2-Hydroxymethylpiperidine Synonym
- 2-Piperidinylmethanol Synonym
- (±)-2-Piperidinemethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.18 g/mol | CAS Common Chemistry |
| 115.17600000000002 g/mol | RDKit | |
| 115.176 g/mol | RDKit | |
| Canonical SMILES | OCC1NCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO/c8-5-6-3-1-2-4-7-6/h6-8H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PRAYXGYYVXRDDW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69 °C | CAS Common Chemistry |
| Name | 2-Piperidinemethanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 0.12079999999999985 | RDKit |
| 0.1208 | RDKit | |
| Molar Refractivity | 32.727499999999985 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 115.099714036 g/mol | RDKit |
| Boiling Point | 80-83 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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80
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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 = 115.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H13NO.
