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1-Methyl-3-Piperidinemethanol
CAS: 7583-53-1 | C7H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7583-53-1
Molecular Formula:
C7H15NO
Molecular Mass:
129.20 g/mol
Names and Synonyms:
1-Methyl-3-Piperidinemethanol
3-Piperidinemethanol, 1-methyl-
1-Methyl-3-piperidinemethanol
3-(Hydroxymethyl)-1-methylpiperidine
N-Methylpiperidine-3-methanol
(1-Methylpiperidin-3-yl)methanol
3-Hydroxymethyl-N-methylpiperidine
NSC 66541
N-Methyl-3-hydroxymethylpiperidine
1-Methyl-3-hydroxymethylpiperidine
Identifiers:
SMILES:
CN1CCCC(CO)C1
InChI:
InChI=1S/C7H15NO/c1-8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3
Key Properties
Boiling Point
142.5 °C
CAS Common Chemistry
Density
0.96 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.20 g/mol | CAS Common Chemistry |
| 129.20299999999997 g/mol | RDKit | |
| 129.1153641 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 |
| LogP | 0.32050000000000006 | RDKit |
| Molar Refractivity | 37.306799999999996 | RDKit |
