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Diphenylmethylpiperazine
CAS: 841-77-0 | C17H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
841-77-0
Molecular Formula:
C17H20N2
Molecular Mass:
252.36 g/mol
Names and Synonyms:
Diphenylmethylpiperazine
Piperazine, 1-(diphenylmethyl)-
1-(Diphenylmethyl)piperazine
Norcyclizine
Benzhydrylpiperazine
N-Benzhydrylpiperazine
1-Benzhydrylpiperazine
N-(Diphenylmethyl)piperazine
4-(Diphenylmethyl)piperazine
4-Benzhydrylpiperazine
NSC 35536
Identifiers:
SMILES:
c1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChI:
InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2
Key Properties
Boiling Point
189-190 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
70-72 °C
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 | 252.36 g/mol | CAS Common Chemistry |
| 252.36099999999993 g/mol | RDKit | |
| 252.16264864 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylmethylpiperazine | CAS Common Chemistry |
| Boiling Point | 189-190 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C(C=2C=CC=CC2)N3CCNCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NWVNXDKZIQLBNM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70-72 °C | CAS Common Chemistry |
| Name | Benzhydrylpiperazine | CAS Common Chemistry |
| Diphenylmethylpiperazine | CAS Common Chemistry | |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 2.6812000000000005 | RDKit |
| Molar Refractivity | 79.16970000000005 | RDKit |
