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3-Hydroxy-1-Methylpiperidine
CAS: 3554-74-3 | C6H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3554-74-3
Molecular Formula:
C6H13NO
Molecular Mass:
115.18 g/mol
Names and Synonyms:
3-Hydroxy-1-Methylpiperidine
3-Piperidinol, 1-methyl-
1-Methyl-3-piperidinol
N-Methyl-3-hydroxypiperidine
N-Methyl-3-piperidinol
3-Hydroxy-1-methylpiperidine
1-Methyl-3-hydroxypiperidine
3-Hydroxy-N-methylpiperidine
(±)-1-Methyl-3-piperidinol
(±)-3-Hydroxy-1-methylpiperidine
rac-3-Hydroxy-1-methylpiperidine
NSC 68348
Identifiers:
SMILES:
CN1CCCC(O)C1
InChI:
InChI=1S/C6H13NO/c1-7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3
Key Properties
Boiling Point
79 °C @ Press: 16 Torr
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 | 115.18 g/mol | CAS Common Chemistry |
| 115.17599999999999 g/mol | RDKit | |
| 115.099714036 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9635 g/cm3 @ Temp: 16 °C | CAS Common Chemistry | |
| Boiling Point | 79 °C @ Press: 16 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1CN(C)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO/c1-7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UKANCZCEGQDKGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-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 |
