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Molecule
1-Methyl-3-Piperidinemethanol
CAS: 7583-53-1 · C7H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7583-53-1
- Molecular Formula
- C7H15NO
- Molecular Mass
- 129.20 g/mol
Identifiers
CAS Registry Number
7583-53-1
SMILES
CN1CCCC(CO)C1
InChI Key
UGXQXVDTGJCQHR-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO/c1-8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3
Names and Synonyms
- 1-Methyl-3-Piperidinemethanol Systematic Name
- 3-Piperidinemethanol, 1-methyl- Synonym
- 1-Methyl-3-piperidinemethanol Synonym
- 3-(Hydroxymethyl)-1-methylpiperidine Synonym
- N-Methylpiperidine-3-methanol Synonym
- (1-Methylpiperidin-3-yl)methanol Synonym
- 3-Hydroxymethyl-N-methylpiperidine Synonym
- NSC 66541 Synonym
- N-Methyl-3-hydroxymethylpiperidine Synonym
- 1-Methyl-3-hydroxymethylpiperidine 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 | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9649 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 142.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCC1CN(C)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO/c1-8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UGXQXVDTGJCQHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Methyl-3-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 | 0.32050000000000006 | RDKit |
| 0.3205 | RDKit | |
| Molar Refractivity | 37.306799999999996 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...
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200 ppm
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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 = 0.960 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15NO.
