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Molecule
Diphenylmethylpiperazine
CAS: 841-77-0 · C17H20N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 841-77-0
- Molecular Formula
- C17H20N2
- Molecular Mass
- 252.36 g/mol
Identifiers
CAS Registry Number
841-77-0
SMILES
c1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChI Key
NWVNXDKZIQLBNM-UHFFFAOYSA-N
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
Names and Synonyms
- Diphenylmethylpiperazine Common Name
- Piperazine, 1-(diphenylmethyl)- Synonym
- 1-(Diphenylmethyl)piperazine Synonym
- Norcyclizine Synonym
- Benzhydrylpiperazine Synonym
- N-Benzhydrylpiperazine Synonym
- 1-Benzhydrylpiperazine Synonym
- N-(Diphenylmethyl)piperazine Synonym
- 4-(Diphenylmethyl)piperazine Synonym
- 4-Benzhydrylpiperazine Synonym
- NSC 35536 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 252.36 g/mol | CAS Common Chemistry |
| 252.36099999999993 g/mol | RDKit | |
| 252.361 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylmethylpiperazine | 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 |
| 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 |
| 15.04 Ų | chempirical lib | |
| LogP | 2.6812000000000005 | RDKit |
| 2.6812 | RDKit | |
| Molar Refractivity | 79.16970000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 252.16264864 g/mol | RDKit |
| Boiling Point | 189-190 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| 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 = 252.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H20N2.
