2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone

C14H18F2N2O — CID 115273206

IUPAC2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone
SMILESCC1(C)CN(C(=O)Cc2cc(F)ccc2F)CCN1
InChIInChI=1S/C14H18F2N2O/c1-14(2)9-18(6-5-17-14)13(19)8-10-7-11(15)3-4-12(10)16/h3-4,7,17H,5-6,8-9H2,1-2H3
InChIKeyNNJNORXHACLOPN-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.72
Rot. Bonds2

About 2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone

2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone (PubChem CID 115273206) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone
PubChem CID115273206
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone
SMILESCC1(C)CN(C(=O)Cc2cc(F)ccc2F)CCN1
InChIInChI=1S/C14H18F2N2O/c1-14(2)9-18(6-5-17-14)13(19)8-10-7-11(15)3-4-12(10)16/h3-4,7,17H,5-6,8-9H2,1-2H3
InChIKeyNNJNORXHACLOPN-UHFFFAOYSA-N
XLogP1.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-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-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119401623
(3,3-dimethylpiperazin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 79014930
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2,5-difluorophenyl)ethanone;hydrochloride
CID 119636794
2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911
1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine
CID 115970389
1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide
CID 119138730
1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122118895
1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 79001578
2-(2,5-difluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119490122
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120816781
(3-bromo-5-fluorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79507160
1-[(3R)-3-aminopiperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 176515261

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone (CID 115273206) is 2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone is CC1(C)CN(C(=O)Cc2cc(F)ccc2F)CCN1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone?
The InChIKey is NNJNORXHACLOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-14(2)9-18(6-5-17-14)13(19)8-10-7-11(15)3-4-12(10)16/h3-4,7,17H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone?
2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone has a molecular weight of 268.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 115273206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).