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Molecule
1-Methyl-2-Piperidinemethanol
CAS: 20845-34-5 · C7H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20845-34-5
- Molecular Formula
- C7H15NO
- Molecular Mass
- 129.20 g/mol
Identifiers
CAS Registry Number
20845-34-5
SMILES
CN1CCCCC1CO
InChI Key
HXXJMMLIEYAFOZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO/c1-8-5-3-2-4-7(8)6-9/h7,9H,2-6H2,1H3
Names and Synonyms
- 1-Methyl-2-Piperidinemethanol Synonym
- 2-Piperidinemethanol, 1-methyl- Synonym
- 1-Methyl-2-piperidinemethanol Synonym
- 2-Hydroxymethyl-N-methylpiperidine Synonym
- (1-Methyl-2-piperidyl)methanol Synonym
- N-Methyl-2-piperidinemethanol Synonym
- (±)-2-Hydroxymethyl-1-methylpiperidine Synonym
- (1-Methylpiperidin-2-yl)methanol Synonym
- 2-Hydroxymethyl-1-methylpiperidine Synonym
- NSC 45464 Synonym
- 1-Methyl-2-(hydroxymethyl)piperidine 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 | |
| Canonical SMILES | OCC1N(C)CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO/c1-8-5-3-2-4-7(8)6-9/h7,9H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HXXJMMLIEYAFOZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Methyl-2-piperidinemethanol | 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 | 0.463 | 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 |
| Boiling Point | 96-98 °C @ 19 Torr | CAS Common Chemistry |
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. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15NO.
