2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C17H25FN4O — CID 108995416

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C17H25FN4O/c1-19-6-10-22(11-7-19)17(23)14-20-8-12-21(13-9-20)16-4-2-15(18)3-5-16/h2-5H,6-14H2,1H3
InChIKeyKFICCUNMSSPNSS-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.72
Rot. Bonds3

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 108995416) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID108995416
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C17H25FN4O/c1-19-6-10-22(11-7-19)17(23)14-20-8-12-21(13-9-20)16-4-2-15(18)3-5-16/h2-5H,6-14H2,1H3
InChIKeyKFICCUNMSSPNSS-UHFFFAOYSA-N
XLogP0.72
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 861157
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
2-(4-fluorophenyl)-1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37404624
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 87019545
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015706
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 108995416) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CN2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is KFICCUNMSSPNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O/c1-19-6-10-22(11-7-19)17(23)14-20-8-12-21(13-9-20)16-4-2-15(18)3-5-16/h2-5H,6-14H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 320.41 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108995416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).