1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone

C13H17FN2O — CID 3461738

IUPAC1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O/c1-15-6-8-16(9-7-15)10-13(17)11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3
InChIKeyLLLSNKZYKGHXCG-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.26
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone

1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 3461738) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID3461738
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O/c1-15-6-8-16(9-7-15)10-13(17)11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3
InChIKeyLLLSNKZYKGHXCG-UHFFFAOYSA-N
XLogP1.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861605
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)ethanone
CID 43797022
1-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223613
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
4-[2-(4-fluorophenyl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358984
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
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trifluorophenyl)ethanone
CID 170861659
1-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 15997423
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 3461738) is 1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is LLLSNKZYKGHXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-15-6-8-16(9-7-15)10-13(17)11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 236.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 3461738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).