Back to Search
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 Weight:
115.17599999999999 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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 115.18 g/mol | Legacy Database |
| density | 0.96 g/cm³ | Legacy Database |
| cas-boiling-point | 79 °C @ Press: 16 Torr None | Legacy Database |
| cas-canonical-smile | OC1CN(C)CCC1 None | Legacy Database |
| cas-density | 0.9635 g/cm3 @ Temp: 16 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H13NO/c1-7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=UKANCZCEGQDKGF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 3-Hydroxy-1-methylpiperidine None | Legacy Database |
| LogP | 0.07290000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 115.17599999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 115.099714036 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 23.47 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.737799999999986 | RDKit |
