Back to Search
4-Hydroxy-1-Methylpiperidine
CAS: 106-52-5 | C6H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
106-52-5
Molecular Formula:
C6H13NO
Molecular Mass:
115.18 g/mol
Names and Synonyms:
4-Hydroxy-1-Methylpiperidine
4-Piperidinol, 1-methyl-
1-Methyl-4-piperidinol
1-Methyl-4-hydroxypiperidine
N-Methyl-4-piperidinol
4-Hydroxy-1-methylpiperidine
N-Methyl-4-hydroxypiperidine
4-Hydroxy-N-methylpiperidine
NSC 60705
Identifiers:
SMILES:
CN1CCC(O)CC1
InChI:
InChI=1S/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
Key Properties
Boiling Point
200 °C
CAS Common Chemistry
Melting Point
29 °C
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 | 115.18 g/mol | CAS Common Chemistry |
| 115.17599999999999 g/mol | RDKit | |
| 115.099714036 g/mol | RDKit | |
| Boiling Point | 200 °C | CAS Common Chemistry |
| Canonical SMILES | OC1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BAUWRHPMUVYFOD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 29 °C | CAS Common Chemistry |
| Name | 4-Hydroxy-1-methylpiperidine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | 0.07290000000000002 | RDKit |
| Molar Refractivity | 32.737799999999986 | RDKit |
