1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine

C17H16F2N2O3 — CID 133345786

IUPAC1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine
SMILESO=[N+]([O-])c1c(F)cccc1N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H16F2N2O3/c18-12-4-6-13(7-5-12)24-14-8-10-20(11-9-14)16-3-1-2-15(19)17(16)21(22)23/h1-7,14H,8-11H2
InChIKeyZOQGTOCEKPKERV-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.92
Rot. Bonds4

About 1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine

1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine (PubChem CID 133345786) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine.

Molecular Properties

Compound Name1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine
PubChem CID133345786
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine
SMILESO=[N+]([O-])c1c(F)cccc1N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H16F2N2O3/c18-12-4-6-13(7-5-12)24-14-8-10-20(11-9-14)16-3-1-2-15(19)17(16)21(22)23/h1-7,14H,8-11H2
InChIKeyZOQGTOCEKPKERV-UHFFFAOYSA-N
XLogP3.92
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-cyclohexyloxy-1-(3-fluoro-2-nitrophenyl)piperidine
CID 133278337
1-(3-fluoro-2-nitrophenyl)piperazine
CID 53255788
4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 62689125
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62689473
[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133345844
(3R)-1-(3-fluoro-2-nitrophenyl)-3-methylpiperazine
CID 104976022
6-fluoro-2-(3-fluoro-2-nitrophenyl)-3,4-dihydro-1H-isoquinoline
CID 133422385
4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine
CID 63171297
4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine
CID 63549434
[1-(3-fluoro-2-nitrophenyl)-4-methylpiperidin-3-yl]methanamine
CID 114961683
1-(3-fluoro-2-nitrophenyl)-4-(1-methylpiperidin-3-yl)piperazine
CID 133315610

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine?
The IUPAC name of 1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine (CID 133345786) is 1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine.
What is the SMILES notation for 1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine?
The canonical SMILES for 1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine is O=[N+]([O-])c1c(F)cccc1N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine?
The InChIKey is ZOQGTOCEKPKERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-12-4-6-13(7-5-12)24-14-8-10-20(11-9-14)16-3-1-2-15(19)17(16)21(22)23/h1-7,14H,8-11H2.
What are the key properties of 1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine?
1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine has a molecular weight of 334.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-nitrophenyl)-4-(4-fluorophenoxy)piperidine is sourced from PubChem (CID 133345786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).