2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone

C17H23F2NO — CID 62091099

IUPAC2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
SMILESCC(C)(C)C1CCN(CC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H23F2NO/c1-17(2,3)12-6-8-20(9-7-12)11-16(21)14-5-4-13(18)10-15(14)19/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyIUUHCDPZHQNAHL-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.91
Rot. Bonds3

About 2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone

2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone (PubChem CID 62091099) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
PubChem CID62091099
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
SMILESCC(C)(C)C1CCN(CC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H23F2NO/c1-17(2,3)12-6-8-20(9-7-12)11-16(21)14-5-4-13(18)10-15(14)19/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyIUUHCDPZHQNAHL-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)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-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62029010
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
1-(2,4-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62942450
4-tert-butyl-1-[2-(2,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512276
1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81103557
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785
2-(1,4-diazepan-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62036985
2-(4-aminopiperidin-1-yl)-1-(2,5-difluorophenyl)ethanone
CID 62029769
1-(2,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 62029233
2-(4-tert-butylpiperidin-1-yl)-1-(3,4-dihydroxyphenyl)ethanone
CID 62091109
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43228924
1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 62017862

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone (CID 62091099) is 2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone is CC(C)(C)C1CCN(CC(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone?
The InChIKey is IUUHCDPZHQNAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-17(2,3)12-6-8-20(9-7-12)11-16(21)14-5-4-13(18)10-15(14)19/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone?
2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone has a molecular weight of 295.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 62091099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).