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1-[Bis(4-Fluorophenyl)Methyl]Piperazine
CAS: 27469-60-9 | C17H18F2N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
27469-60-9
Molecular Formula:
C17H18F2N2
Molecular Mass:
288.34 g/mol
Names and Synonyms:
1-[Bis(4-Fluorophenyl)Methyl]Piperazine
Piperazine, 1-[bis(4-fluorophenyl)methyl]-
Piperazine, 1-[bis(p-fluorophenyl)methyl]-
1-[Bis(4-fluorophenyl)methyl]piperazine
1-(Di-p-fluorobenzhydryl)piperazine
R 19352
T 841
N-(4,4′-Difluorobenzhydryl)piperazine
N-(Bis(4-fluorophenyl)methyl)piperazine
4-[Bis(4-fluorophenyl)methyl]piperazine
4,4′-Difluorobenzhydrylpiperazine
Identifiers:
SMILES:
Fc1ccc(C(c2ccc(F)cc2)N2CCNCC2)cc1
InChI:
InChI=1S/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
Key Properties
Melting Point
88-91 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.34 g/mol | CAS Common Chemistry |
| 288.341 g/mol | RDKit | |
| 288.143805016 g/mol | RDKit | |
| Canonical SMILES | FC1=CC=C(C=C1)C(C2=CC=C(F)C=C2)N3CCNCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=TTXIFFYPVGWLSE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88-91 °C | CAS Common Chemistry |
| Name | 1-[Bis(4-fluorophenyl)methyl]piperazine | CAS Common Chemistry |
| Heavy Atom Count | 21 | 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 | 2.9594000000000014 | RDKit |
| Molar Refractivity | 79.08570000000005 | RDKit |
