6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one

C12H14F2N2O — CID 116817354

IUPAC6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one
SMILESCN1C(=O)CNCC1Cc1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O/c1-16-10(6-15-7-12(16)17)4-8-2-3-9(13)5-11(8)14/h2-3,5,10,15H,4,6-7H2,1H3
InChIKeyAHIILZBABBWACZ-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.94
Rot. Bonds2

About 6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one

6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one (PubChem CID 116817354) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one
PubChem CID116817354
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one
SMILESCN1C(=O)CNCC1Cc1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O/c1-16-10(6-15-7-12(16)17)4-8-2-3-9(13)5-11(8)14/h2-3,5,10,15H,4,6-7H2,1H3
InChIKeyAHIILZBABBWACZ-UHFFFAOYSA-N
XLogP0.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-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

Related Compounds

1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-2-one
CID 23022275
2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine
CID 82287919
N-[(2,4-difluorophenyl)methyl]-1-(1-methylpiperazin-2-yl)methanamine
CID 115238371
5-[(2R,4S)-2-[(2,4-difluorophenyl)methyl]-1-methylpiperidin-4-yl]-1,2-oxazol-3-one
CID 66732363
5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
CID 104687134
1-[(2,4-difluorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione
CID 64884158
9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione
CID 84633414
N-[(2,4-difluorophenyl)methyl]-N-methylazetidin-3-amine
CID 66188228
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016867
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
2-(2,4-difluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
CID 116573426
5-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)piperidin-2-one
CID 142244835

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one?
The IUPAC name of 6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one (CID 116817354) is 6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one is CN1C(=O)CNCC1Cc1ccc(F)cc1F.
What is the InChIKey of 6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one?
The InChIKey is AHIILZBABBWACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-16-10(6-15-7-12(16)17)4-8-2-3-9(13)5-11(8)14/h2-3,5,10,15H,4,6-7H2,1H3.
What are the key properties of 6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one?
6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one has a molecular weight of 240.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 116817354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).