2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one

C14H18FIN2O — CID 79768419

IUPAC2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1ccc(F)cc1I)C(=O)N1CCCCC1
InChIInChI=1S/C14H18FIN2O/c1-10(14(19)18-7-3-2-4-8-18)17-13-6-5-11(15)9-12(13)16/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyHZIQXSAVQMAZQT-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one

2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one (PubChem CID 79768419) has the molecular formula C14H18FIN2O and a molecular weight of 376.21 g/mol. Its IUPAC name is 2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one
PubChem CID79768419
Molecular FormulaC14H18FIN2O
Molecular Weight376.21 g/mol
Exact Mass376.04
IUPAC Name2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1ccc(F)cc1I)C(=O)N1CCCCC1
InChIInChI=1S/C14H18FIN2O/c1-10(14(19)18-7-3-2-4-8-18)17-13-6-5-11(15)9-12(13)16/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyHZIQXSAVQMAZQT-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoro-2-iodoanilino)-1-morpholin-4-ylpropan-1-one
CID 79768931
5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 82016089
2-(2-bromo-4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43119481
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one
CID 62815898
2,3-difluoro-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 107934118
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083827
1-(azepan-1-yl)-2-(5-bromo-2-fluoroanilino)propan-1-one
CID 43555646
2-(2-fluoro-4-nitroanilino)-1-piperidin-1-ylpropan-1-one
CID 115587014
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 63068169
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083632

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one (CID 79768419) is 2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one is CC(Nc1ccc(F)cc1I)C(=O)N1CCCCC1.
What is the InChIKey of 2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is HZIQXSAVQMAZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FIN2O/c1-10(14(19)18-7-3-2-4-8-18)17-13-6-5-11(15)9-12(13)16/h5-6,9-10,17H,2-4,7-8H2,1H3.
What are the key properties of 2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one?
2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 376.21 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 79768419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).