2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone

C15H18F2N2O2 — CID 114509184

IUPAC2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
SMILESCCC1CN(C(=O)Cc2c(F)cccc2F)CC/C1=N\O
InChIInChI=1S/C15H18F2N2O2/c1-2-10-9-19(7-6-14(10)18-21)15(20)8-11-12(16)4-3-5-13(11)17/h3-5,10,21H,2,6-9H2,1H3/b18-14+
InChIKeyQOSWFGJMCUCKEC-NBVRZTHBSA-N
MW296.32 g/mol
LogP2.60
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone

2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone (PubChem CID 114509184) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
PubChem CID114509184
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
SMILESCCC1CN(C(=O)Cc2c(F)cccc2F)CC/C1=N\O
InChIInChI=1S/C15H18F2N2O2/c1-2-10-9-19(7-6-14(10)18-21)15(20)8-11-12(16)4-3-5-13(11)17/h3-5,10,21H,2,6-9H2,1H3/b18-14+
InChIKeyQOSWFGJMCUCKEC-NBVRZTHBSA-N
XLogP2.60
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
CID 114509312
2-(2,6-difluorophenyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114510031
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
CID 114509248
phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate
CID 114509409
2,3-dihydro-1H-inden-2-yl-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 106892974
(4-bromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509319
3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 104931309
2-(2,6-difluorophenyl)-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119413951
(3,5-dibromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 107972408
1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone
CID 114500853
(3,4-dimethylphenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509270
2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 118398594

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone (CID 114509184) is 2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone is CCC1CN(C(=O)Cc2c(F)cccc2F)CC/C1=N\O.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone?
The InChIKey is QOSWFGJMCUCKEC-NBVRZTHBSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-2-10-9-19(7-6-14(10)18-21)15(20)8-11-12(16)4-3-5-13(11)17/h3-5,10,21H,2,6-9H2,1H3/b18-14+.
What are the key properties of 2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone?
2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone has a molecular weight of 296.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone is sourced from PubChem (CID 114509184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).