2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone

C14H19FN2O — CID 28826126

IUPAC2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
SMILESCc1ccc(NCC(=O)N2CCCCC2)c(F)c1
InChIInChI=1S/C14H19FN2O/c1-11-5-6-13(12(15)9-11)16-10-14(18)17-7-3-2-4-8-17/h5-6,9,16H,2-4,7-8,10H2,1H3
InChIKeyZFNMSCHCERZOJQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.56
Rot. Bonds3

About 2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone

2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone (PubChem CID 28826126) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
PubChem CID28826126
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
SMILESCc1ccc(NCC(=O)N2CCCCC2)c(F)c1
InChIInChI=1S/C14H19FN2O/c1-11-5-6-13(12(15)9-11)16-10-14(18)17-7-3-2-4-8-17/h5-6,9,16H,2-4,7-8,10H2,1H3
InChIKeyZFNMSCHCERZOJQ-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
1-(azepan-1-yl)-2-(2,5-difluoro-4-methylanilino)ethanone
CID 103585764
1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
CID 55118306
3-fluoro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 79769787
methyl 3-fluoro-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate
CID 75497888
2-(2-bromo-5-methylanilino)-1-pyrrolidin-1-ylethanone
CID 82713605
2-(2-fluoro-4-methylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 37479293
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-fluoro-4-methylanilino)ethanone
CID 9101098
1-(azepan-1-yl)-2-(5-bromo-4-fluoro-2-methylanilino)ethanone
CID 103238791
2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 28939346
1-(azepan-1-yl)-2-(4-bromo-2-methylanilino)ethanone
CID 28572456

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone (CID 28826126) is 2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone is Cc1ccc(NCC(=O)N2CCCCC2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone?
The InChIKey is ZFNMSCHCERZOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-11-5-6-13(12(15)9-11)16-10-14(18)17-7-3-2-4-8-17/h5-6,9,16H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone?
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone has a molecular weight of 250.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 28826126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).