1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine

C12H16FN3O3 — CID 62368022

IUPAC1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine
SMILESO=[N+]([O-])c1cc(F)ccc1OCCN1CCNCC1
InChIInChI=1S/C12H16FN3O3/c13-10-1-2-12(11(9-10)16(17)18)19-8-7-15-5-3-14-4-6-15/h1-2,9,14H,3-8H2
InChIKeyDFTVDSQSJZTXOU-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.02
Rot. Bonds5

About 1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine

1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine (PubChem CID 62368022) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine
PubChem CID62368022
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine
SMILESO=[N+]([O-])c1cc(F)ccc1OCCN1CCNCC1
InChIInChI=1S/C12H16FN3O3/c13-10-1-2-12(11(9-10)16(17)18)19-8-7-15-5-3-14-4-6-15/h1-2,9,14H,3-8H2
InChIKeyDFTVDSQSJZTXOU-UHFFFAOYSA-N
XLogP1.02
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
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-[2-(2,5-difluoro-4-nitrophenoxy)ethyl]piperazine
CID 63597783
1-[2-(2,4-difluorophenoxy)ethyl]-1,4-diazepane
CID 82088956
1-[2-[4-fluoro-2-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperazine
CID 139743344
4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol
CID 81041016
1-(3-bromopropoxy)-4-fluoro-2-nitrobenzene
CID 62368338
3-(5-fluoro-2-nitrophenoxy)-1-piperazin-1-ylpropan-1-one
CID 62544403
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
4-(2-morpholin-4-ylethoxy)-3-nitrobenzonitrile
CID 59313895
4-(2-morpholin-4-ylethoxy)-3-nitrobenzaldehyde
CID 23117913
1-(4-fluoro-2-nitrophenyl)-4-(2-phenoxyethyl)piperazine
CID 18190430
1-[2-(2,3-difluorophenoxy)ethyl]piperazine
CID 63037635
5-(4-fluoro-2-nitrophenoxy)pentan-2-one
CID 62369027

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine?
The IUPAC name of 1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine (CID 62368022) is 1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine.
What is the SMILES notation for 1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine?
The canonical SMILES for 1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine is O=[N+]([O-])c1cc(F)ccc1OCCN1CCNCC1.
What is the InChIKey of 1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine?
The InChIKey is DFTVDSQSJZTXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c13-10-1-2-12(11(9-10)16(17)18)19-8-7-15-5-3-14-4-6-15/h1-2,9,14H,3-8H2.
What are the key properties of 1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine?
1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine has a molecular weight of 269.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine is sourced from PubChem (CID 62368022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).