2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone

C14H19FN2O — CID 115909087

IUPAC2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone
SMILESCc1cccc(F)c1NCC(=O)N1CCCCC1
InChIInChI=1S/C14H19FN2O/c1-11-6-5-7-12(15)14(11)16-10-13(18)17-8-3-2-4-9-17/h5-7,16H,2-4,8-10H2,1H3
InChIKeyPDMLZDGSHCBOBD-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.56
Rot. Bonds3

About 2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone

2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone (PubChem CID 115909087) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone
PubChem CID115909087
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone
SMILESCc1cccc(F)c1NCC(=O)N1CCCCC1
InChIInChI=1S/C14H19FN2O/c1-11-6-5-7-12(15)14(11)16-10-13(18)17-8-3-2-4-9-17/h5-7,16H,2-4,8-10H2,1H3
InChIKeyPDMLZDGSHCBOBD-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-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
CID 108993428
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
2-(2-chloro-6-fluoroanilino)-1-morpholin-4-ylethanone
CID 104530689
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
CID 134177696
3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013409
2-(2,6-dimethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002134
1-(azepan-1-yl)-2-(2,5-difluoro-4-methylanilino)ethanone
CID 103585764
2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone
CID 65467650
2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112699377
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126
2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone
CID 115279721
2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
CID 113352413

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone (CID 115909087) is 2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone is Cc1cccc(F)c1NCC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone?
The InChIKey is PDMLZDGSHCBOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-11-6-5-7-12(15)14(11)16-10-13(18)17-8-3-2-4-9-17/h5-7,16H,2-4,8-10H2,1H3.
What are the key properties of 2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone?
2-(2-fluoro-6-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-6-methylanilino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 115909087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).