2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride

C12H15ClF2N2O — CID 119402946

IUPAC2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
SMILESCl.O=C(Cc1cccc(F)c1F)N1CCNCC1
InChIInChI=1S/C12H14F2N2O.ClH/c13-10-3-1-2-9(12(10)14)8-11(17)16-6-4-15-5-7-16;/h1-3,15H,4-8H2;1H
InChIKeyBSKGYXBJLIDVBC-UHFFFAOYSA-N
MW276.71 g/mol
LogP1.36
Rot. Bonds2

About 2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride

2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119402946) has the molecular formula C12H15ClF2N2O and a molecular weight of 276.71 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119402946
Molecular FormulaC12H15ClF2N2O
Molecular Weight276.71 g/mol
Exact Mass276.08
IUPAC Name2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
SMILESCl.O=C(Cc1cccc(F)c1F)N1CCNCC1
InChIInChI=1S/C12H14F2N2O.ClH/c13-10-3-1-2-9(12(10)14)8-11(17)16-6-4-15-5-7-16;/h1-3,15H,4-8H2;1H
InChIKeyBSKGYXBJLIDVBC-UHFFFAOYSA-N
XLogP1.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.71
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride 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

3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
CID 83925483
1-[2-(2,3-difluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528129
2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119401623
2-(2,3-difluorophenyl)-1-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]ethanone
CID 137344531
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2,3-difluorophenyl)ethanone;hydrochloride
CID 119934481
(1R,5S)-3-[2-(2,3-difluorophenyl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135106191
2-(3-iodophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119400954
2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
CID 81268372
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 81469146
4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one
CID 83925488
2-(2,3-difluorophenyl)-1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone
CID 131947333
2-[(2-ethyl-6-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835994

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride (CID 119402946) is 2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride is Cl.O=C(Cc1cccc(F)c1F)N1CCNCC1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is BSKGYXBJLIDVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O.ClH/c13-10-3-1-2-9(12(10)14)8-11(17)16-6-4-15-5-7-16;/h1-3,15H,4-8H2;1H.
What are the key properties of 2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride?
2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 276.71 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119402946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).