2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride

C12H15ClF2N2O — CID 119401623

IUPAC2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
SMILESCl.O=C(Cc1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C12H14F2N2O.ClH/c13-10-1-2-11(14)9(7-10)8-12(17)16-5-3-15-4-6-16;/h1-2,7,15H,3-6,8H2;1H
InChIKeyOWUGQKQCBHEXSY-UHFFFAOYSA-N
MW276.71 g/mol
LogP1.36
Rot. Bonds2

About 2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride

2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119401623) has the molecular formula C12H15ClF2N2O and a molecular weight of 276.71 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119401623
Molecular FormulaC12H15ClF2N2O
Molecular Weight276.71 g/mol
Exact Mass276.08
IUPAC Name2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
SMILESCl.O=C(Cc1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C12H14F2N2O.ClH/c13-10-1-2-11(14)9(7-10)8-12(17)16-5-3-15-4-6-16;/h1-2,7,15H,3-6,8H2;1H
InChIKeyOWUGQKQCBHEXSY-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

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911
2-(2,5-difluorophenyl)-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 115273206
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2,5-difluorophenyl)ethanone;hydrochloride
CID 119636794
2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402946
1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide
CID 119138730
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 95432808
2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454848
3-[(2,4-difluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980650
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,5-difluorophenyl)ethanone;hydrochloride
CID 119662837
S-[(2,4-difluorophenyl)methyl] piperazine-1-carbothioate;hydrochloride
CID 87713925

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride (CID 119401623) is 2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride is Cl.O=C(Cc1cc(F)ccc1F)N1CCNCC1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is OWUGQKQCBHEXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O.ClH/c13-10-1-2-11(14)9(7-10)8-12(17)16-5-3-15-4-6-16;/h1-2,7,15H,3-6,8H2;1H.
What are the key properties of 2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride?
2-(2,5-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-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119401623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).