4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one

C11H18F3N3O — CID 66201657

IUPAC4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one
SMILESO=C(CCC(F)(F)F)N1CC(N2CCNCC2)C1
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)2-1-10(18)17-7-9(8-17)16-5-3-15-4-6-16/h9,15H,1-8H2
InChIKeyBQBRBGCBTNEZRK-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.44
Rot. Bonds3

About 4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one

4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one (PubChem CID 66201657) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one
PubChem CID66201657
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one
SMILESO=C(CCC(F)(F)F)N1CC(N2CCNCC2)C1
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)2-1-10(18)17-7-9(8-17)16-5-3-15-4-6-16/h9,15H,1-8H2
InChIKeyBQBRBGCBTNEZRK-UHFFFAOYSA-N
XLogP0.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 79410280
2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66201863
3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120996967
4-methoxy-1-(3-piperazin-1-ylazetidin-1-yl)pentan-1-one
CID 113382211
2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66195575
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808
3,5,5-trimethyl-1-(3-piperazin-1-ylazetidin-1-yl)hexan-1-one
CID 66203790
1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine
CID 116535679
5-methyl-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid
CID 122118864
1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
CID 66202821
1-(3-piperazin-1-ylpyrrolidin-1-yl)pent-4-en-1-one
CID 112739428
4,4,4-trifluoro-1-[4-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 121200615

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one (CID 66201657) is 4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one is O=C(CCC(F)(F)F)N1CC(N2CCNCC2)C1.
What is the InChIKey of 4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one?
The InChIKey is BQBRBGCBTNEZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)2-1-10(18)17-7-9(8-17)16-5-3-15-4-6-16/h9,15H,1-8H2.
What are the key properties of 4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one?
4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one has a molecular weight of 265.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one is sourced from PubChem (CID 66201657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).