1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone

C13H16F2N2O — CID 170861605

IUPAC1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H16F2N2O/c1-16-2-4-17(5-3-16)9-13(18)10-6-11(14)8-12(15)7-10/h6-8H,2-5,9H2,1H3
InChIKeyOWQSMNRAQUZLJI-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.39
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone

1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170861605) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170861605
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H16F2N2O/c1-16-2-4-17(5-3-16)9-13(18)10-6-11(14)8-12(15)7-10/h6-8H,2-5,9H2,1H3
InChIKeyOWQSMNRAQUZLJI-UHFFFAOYSA-N
XLogP1.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-(3,4,5-trifluorophenyl)ethanone
CID 170861659
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
1-(3-chloro-5-fluoro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862105
3-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 170861612
2-methyl-5-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 82052175
1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861844
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862154
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 5230036
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210
2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone
CID 170861790
1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861337

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 170861605) is 1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is OWQSMNRAQUZLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-16-2-4-17(5-3-16)9-13(18)10-6-11(14)8-12(15)7-10/h6-8H,2-5,9H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 254.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170861605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).