1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one

C19H17Cl2F2NO2 — CID 23022267

IUPAC1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one
SMILESCC(O)(c1ccc(F)cc1F)C1CCC(=O)N(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H17Cl2F2NO2/c1-19(26,13-7-6-12(22)9-16(13)23)11-5-8-17(25)24(10-11)18-14(20)3-2-4-15(18)21/h2-4,6-7,9,11,26H,5,8,10H2,1H3
InChIKeyKDUZLXXISKPBQZ-UHFFFAOYSA-N
MW400.25 g/mol
LogP4.92
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one

1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one (PubChem CID 23022267) has the molecular formula C19H17Cl2F2NO2 and a molecular weight of 400.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one
PubChem CID23022267
Molecular FormulaC19H17Cl2F2NO2
Molecular Weight400.25 g/mol
Exact Mass399.06
IUPAC Name1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one
SMILESCC(O)(c1ccc(F)cc1F)C1CCC(=O)N(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H17Cl2F2NO2/c1-19(26,13-7-6-12(22)9-16(13)23)11-5-8-17(25)24(10-11)18-14(20)3-2-4-15(18)21/h2-4,6-7,9,11,26H,5,8,10H2,1H3
InChIKeyKDUZLXXISKPBQZ-UHFFFAOYSA-N
XLogP4.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.25
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one (CID 23022267) is 1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one is CC(O)(c1ccc(F)cc1F)C1CCC(=O)N(c2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one?
The InChIKey is KDUZLXXISKPBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F2NO2/c1-19(26,13-7-6-12(22)9-16(13)23)11-5-8-17(25)24(10-11)18-14(20)3-2-4-15(18)21/h2-4,6-7,9,11,26H,5,8,10H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one?
1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one has a molecular weight of 400.25 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-[1-(2,4-difluorophenyl)-1-hydroxyethyl]piperidin-2-one is sourced from PubChem (CID 23022267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).