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Molecule
Phenylpiperazine
CAS: 92-54-6 · C10H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 92-54-6
- Molecular Formula
- C10H14N2
- Molecular Mass
- 162.24 g/mol
Identifiers
CAS Registry Number
92-54-6
SMILES
c1ccc(N2CCNCC2)cc1
InChI Key
YZTJYBJCZXZGCT-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2
Names and Synonyms
- Phenylpiperazine Synonym
- Piperazine, 1-phenyl- Synonym
- 1-Phenylpiperazine Synonym
- N-Phenylpiperazine Synonym
- Phenylpiperazine Synonym
- NPP Synonym
- 1-Phenylpiperiazine Synonym
- CD 3-3013 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.24 g/mol | CAS Common Chemistry |
| 162.23600000000002 g/mol | RDKit | |
| 162.236 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0725 g/cm3 @ 14 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenylpiperazine | CAS Common Chemistry |
| Boiling Point | 286.5 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)N2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YZTJYBJCZXZGCT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 235-238 °C | CAS Common Chemistry |
| Name | 1-Phenylpiperazine | CAS Common Chemistry |
| Phenylpiperazine | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| 15.04 Ų | chempirical lib | |
| LogP | 1.0961999999999998 | RDKit |
| 1.0962 | RDKit | |
| Molar Refractivity | 51.52470000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 162.115698448 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 = 162.24 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14N2.
