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Molecule
4-Methyl-1-Piperazineethanol
CAS: 5464-12-0 · C7H16N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5464-12-0
- Molecular Formula
- C7H16N2O
- Molecular Mass
- 144.22 g/mol
Identifiers
CAS Registry Number
5464-12-0
SMILES
CN1CCN(CCO)CC1
InChI Key
QHTUMQYGZQYEOZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2O/c1-8-2-4-9(5-3-8)6-7-10/h10H,2-7H2,1H3
Names and Synonyms
- 4-Methyl-1-Piperazineethanol Systematic Name
- 1-Piperazineethanol, 4-methyl- Synonym
- 4-Methyl-1-piperazineethanol Synonym
- 1-(2-Hydroxyethyl)-4-methylpiperazine Synonym
- 2-(4-Methyl-1-piperazinyl)ethanol Synonym
- 1-Methyl-4-(2-hydroxyethyl)piperazine Synonym
- 1-(Hydroxyethyl)-4-methylpiperazine Synonym
- N-(2-Hydroxyethyl)-N′-methylpiperazine Synonym
- Toyocat HP Synonym
- HP Synonym
- 4-(2-Hydroxyethyl)-1-methylpiperazine Synonym
- NSC 26888 Synonym
- N-Methyl-N′-(2-hydroxyethyl)piperazine Synonym
- HPW Synonym
- Toyocat HPW Synonym
- 2-(4-Methylpiperazin-1-yl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.22 g/mol | CAS Common Chemistry |
| 144.21799999999996 g/mol | RDKit | |
| 144.218 g/mol | RDKit | |
| 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 |
| 26.25 Ų | chempirical lib | |
| LogP | -0.7739 | RDKit |
| Molar Refractivity | 41.02280000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 144.126263132 g/mol | RDKit |
| Boiling Point | 73-75 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 144.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16N2O.
