4-(3-fluoro-4-nitrophenyl)piperidine

C11H13FN2O2 — CID 83403967

IUPAC4-(3-fluoro-4-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccc(C2CCNCC2)cc1F
InChIInChI=1S/C11H13FN2O2/c12-10-7-9(1-2-11(10)14(15)16)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2
InChIKeyBIVUHQKTPWRLHW-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.20
Rot. Bonds2

About 4-(3-fluoro-4-nitrophenyl)piperidine

4-(3-fluoro-4-nitrophenyl)piperidine (PubChem CID 83403967) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 4-(3-fluoro-4-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-(3-fluoro-4-nitrophenyl)piperidine
PubChem CID83403967
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name4-(3-fluoro-4-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccc(C2CCNCC2)cc1F
InChIInChI=1S/C11H13FN2O2/c12-10-7-9(1-2-11(10)14(15)16)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2
InChIKeyBIVUHQKTPWRLHW-UHFFFAOYSA-N
XLogP2.20
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(3-fluoro-4-nitrophenyl)boretane-1-carbonitrile
CID 167470459
4-cyclopropyl-2-fluoro-1-nitrobenzene;(3-fluoro-4-nitrophenyl) trifluoromethanesulfonate
CID 159413937
3-(2,6-difluoro-3-nitrophenyl)pyrrolidine
CID 130039488
4-cyclopropyl-2-nitrophenol
CID 12608020
2-fluoro-5-piperidin-4-ylaniline
CID 24904346
2-fluoro-5-piperidin-4-ylbenzonitrile
CID 16679511
4-(2,4-dinitrophenyl)piperidine
CID 15925829
(2S)-2-(4-fluoro-3-nitrophenyl)azetidine
CID 55278282
2-nitro-5-piperidin-4-ylpyridine
CID 118988934
4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine
CID 16679514
3-(3,4-difluoro-5-nitrophenyl)piperidine
CID 117357182
4-[2-nitro-4-(trifluoromethyl)phenyl]piperidine
CID 154828530

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-nitrophenyl)piperidine?
The IUPAC name of 4-(3-fluoro-4-nitrophenyl)piperidine (CID 83403967) is 4-(3-fluoro-4-nitrophenyl)piperidine.
What is the SMILES notation for 4-(3-fluoro-4-nitrophenyl)piperidine?
The canonical SMILES for 4-(3-fluoro-4-nitrophenyl)piperidine is O=[N+]([O-])c1ccc(C2CCNCC2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-nitrophenyl)piperidine?
The InChIKey is BIVUHQKTPWRLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-10-7-9(1-2-11(10)14(15)16)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2.
What are the key properties of 4-(3-fluoro-4-nitrophenyl)piperidine?
4-(3-fluoro-4-nitrophenyl)piperidine has a molecular weight of 224.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-nitrophenyl)piperidine is sourced from PubChem (CID 83403967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).