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Molecule
1-(4-Hydroxyphenyl)Piperazine
CAS: 56621-48-8 · C10H14N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 56621-48-8
- Molecular Formula
- C10H14N2O
- Molecular Mass
- 178.24 g/mol
Identifiers
CAS Registry Number
56621-48-8
SMILES
Oc1ccc(N2CCNCC2)cc1
InChI Key
GPEOAEVZTOQXLG-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
Names and Synonyms
- 1-(4-Hydroxyphenyl)Piperazine Synonym
- Phenol, 4-(1-piperazinyl)- Synonym
- 4-(1-Piperazinyl)phenol Synonym
- 1-(4-Hydroxyphenyl)piperazine Synonym
- N-(4-Hydroxyphenyl)piperazine Synonym
- 4-(4-Hydroxyphenyl)piperazine Synonym
- 4-Piperazinophenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.24 g/mol | CAS Common Chemistry |
| 178.235 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)N2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GPEOAEVZTOQXLG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 218-220 °C @ Solvent: Ethanol, Water | CAS Common Chemistry |
| Name | 1-(4-Hydroxyphenyl)piperazine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.5 Ų | RDKit |
| 35.27 Ų | chempirical lib | |
| LogP | 0.8017999999999998 | RDKit |
| 0.8018 | RDKit | |
| Molar Refractivity | 53.18950000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 178.110613068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 178.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14N2O.
