1-(2-fluoro-4-nitrophenyl)piperidin-4-one

C11H11FN2O3 — CID 3763781

IUPAC1-(2-fluoro-4-nitrophenyl)piperidin-4-one
SMILESO=C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1
InChIInChI=1S/C11H11FN2O3/c12-10-7-8(14(16)17)1-2-11(10)13-5-3-9(15)4-6-13/h1-2,7H,3-6H2
InChIKeyBMXFDVAJYBTGRC-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.90
Rot. Bonds2

About 1-(2-fluoro-4-nitrophenyl)piperidin-4-one

1-(2-fluoro-4-nitrophenyl)piperidin-4-one (PubChem CID 3763781) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)piperidin-4-one
PubChem CID3763781
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name1-(2-fluoro-4-nitrophenyl)piperidin-4-one
SMILESO=C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1
InChIInChI=1S/C11H11FN2O3/c12-10-7-8(14(16)17)1-2-11(10)13-5-3-9(15)4-6-13/h1-2,7H,3-6H2
InChIKeyBMXFDVAJYBTGRC-UHFFFAOYSA-N
XLogP1.90
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(2-fluoro-4-nitrophenyl)piperidin-4-one
CID 170749636
1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080
1-(2-fluoro-4-nitrophenyl)piperidine-4-carboxylic acid
CID 19624566
3-fluoro-4-morpholin-4-ylaniline;4-(2-fluoro-4-nitrophenyl)morpholine
CID 69365394
1-but-3-ynyl-4-(2-fluoro-4-nitrophenyl)piperazine
CID 47464030
3-fluoro-4-(4-oxopiperidin-1-yl)benzonitrile
CID 43656981
2-(2-fluoro-4-nitrophenyl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322945
2-(2-fluoro-4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61013835
[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 2868624
(2S)-1-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 66712296
4-nitro-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 600712
1-(5-fluoro-2-nitrophenyl)piperidin-4-one
CID 62377786

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)piperidin-4-one?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)piperidin-4-one (CID 3763781) is 1-(2-fluoro-4-nitrophenyl)piperidin-4-one.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)piperidin-4-one?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)piperidin-4-one is O=C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)piperidin-4-one?
The InChIKey is BMXFDVAJYBTGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-10-7-8(14(16)17)1-2-11(10)13-5-3-9(15)4-6-13/h1-2,7H,3-6H2.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)piperidin-4-one?
1-(2-fluoro-4-nitrophenyl)piperidin-4-one has a molecular weight of 238.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenyl)piperidin-4-one is sourced from PubChem (CID 3763781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).