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4-Methyl-1-Piperazineethanol
CAS: 5464-12-0 | C7H16N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5464-12-0
Molecular Formula:
C7H16N2O
Molecular Mass:
144.22 g/mol
Names and Synonyms:
4-Methyl-1-Piperazineethanol
1-Piperazineethanol, 4-methyl-
4-Methyl-1-piperazineethanol
1-(2-Hydroxyethyl)-4-methylpiperazine
2-(4-Methyl-1-piperazinyl)ethanol
1-Methyl-4-(2-hydroxyethyl)piperazine
1-(Hydroxyethyl)-4-methylpiperazine
N-(2-Hydroxyethyl)-N′-methylpiperazine
Toyocat HP
HP
4-(2-Hydroxyethyl)-1-methylpiperazine
NSC 26888
N-Methyl-N′-(2-hydroxyethyl)piperazine
HPW
Toyocat HPW
2-(4-Methylpiperazin-1-yl)ethan-1-ol
Identifiers:
SMILES:
CN1CCN(CCO)CC1
InChI:
InChI=1S/C7H16N2O/c1-8-2-4-9(5-3-8)6-7-10/h10H,2-7H2,1H3
Key Properties
Boiling Point
73-75 °C @ Press: 3 Torr
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 | 144.22 g/mol | CAS Common Chemistry |
| 144.21799999999996 g/mol | RDKit | |
| 144.126263132 g/mol | RDKit | |
| Boiling Point | 73-75 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCN1CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2O/c1-8-2-4-9(5-3-8)6-7-10/h10H,2-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QHTUMQYGZQYEOZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Methyl-1-piperazineethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.71 Ų | RDKit |
| LogP | -0.7739 | RDKit |
| Molar Refractivity | 41.02280000000001 | RDKit |
