1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine

C18H20FN3O3 — CID 18190430

IUPAC1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C18H20FN3O3/c19-15-6-7-17(18(14-15)22(23)24)21-10-8-20(9-11-21)12-13-25-16-4-2-1-3-5-16/h1-7,14H,8-13H2
InChIKeyMYLOAPFPDFHDGN-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.93
Rot. Bonds6

About 1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine

1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine (PubChem CID 18190430) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine
PubChem CID18190430
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C18H20FN3O3/c19-15-6-7-17(18(14-15)22(23)24)21-10-8-20(9-11-21)12-13-25-16-4-2-1-3-5-16/h1-7,14H,8-13H2
InChIKeyMYLOAPFPDFHDGN-UHFFFAOYSA-N
XLogP2.93
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-nitrophenyl)-4-[2-(3-fluorophenoxy)ethyl]piperazine
CID 36952602
3-[4-(4-fluoro-2-nitrophenyl)piperazin-1-yl]propanenitrile
CID 2915650
4-[2-[4-(2-nitrophenyl)piperazin-1-yl]ethoxy]benzonitrile
CID 27206774
4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-3-nitrobenzonitrile
CID 16558707
1-benzhydryl-4-(4-fluoro-2-nitrophenyl)piperazine
CID 9186905
1-(4-fluoro-2-nitrophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 78805462
4-[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 38518687
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-2-nitroaniline
CID 11268901
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-nitroaniline
CID 11440188
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
4-(4-fluoro-2-nitrophenyl)thiomorpholine
CID 52679103
1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine
CID 62368022

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine?
The IUPAC name of 1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine (CID 18190430) is 1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine.
What is the SMILES notation for 1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine?
The canonical SMILES for 1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine is O=[N+]([O-])c1cc(F)ccc1N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine?
The InChIKey is MYLOAPFPDFHDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-15-6-7-17(18(14-15)22(23)24)21-10-8-20(9-11-21)12-13-25-16-4-2-1-3-5-16/h1-7,14H,8-13H2.
What are the key properties of 1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine?
1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine has a molecular weight of 345.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine is sourced from PubChem (CID 18190430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).