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2-(1-Piperazinyl)Phenol
CAS: 1011-17-2 | C10H14N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1011-17-2
Molecular Formula:
C10H14N2O
Molecular Mass:
178.24 g/mol
Names and Synonyms:
2-(1-Piperazinyl)Phenol
Phenol, 2-(1-piperazinyl)-
Phenol, o-1-piperazinyl-
2-(1-Piperazinyl)phenol
1-(2-Hydroxyphenyl)piperazine
N-(2-Hydroxyphenyl)piperazine
1-(o-Hydroxyphenyl)piperazine
Identifiers:
SMILES:
Oc1ccccc1N1CCNCC1
InChI:
InChI=1S/C10H14N2O/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
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 | 178.24 g/mol | CAS Common Chemistry |
| 178.23499999999999 g/mol | RDKit | |
| 178.110613068 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=CC1N2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N2O/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UORNTHBBLYBAJJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(1-Piperazinyl)phenol | 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 |
| LogP | 0.8017999999999998 | RDKit |
| Molar Refractivity | 53.189500000000024 | RDKit |
