1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one

C14H19F3N2OS — CID 62968235

IUPAC1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCN1CCN(CC(F)(F)F)CC1)c1cccs1
InChIInChI=1S/C14H19F3N2OS/c15-14(16,17)11-19-8-6-18(7-9-19)5-1-3-12(20)13-4-2-10-21-13/h2,4,10H,1,3,5-9,11H2
InChIKeyFGMCBXGNTNLTLQ-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.89
Rot. Bonds6

About 1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one

1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one (PubChem CID 62968235) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
PubChem CID62968235
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCN1CCN(CC(F)(F)F)CC1)c1cccs1
InChIInChI=1S/C14H19F3N2OS/c15-14(16,17)11-19-8-6-18(7-9-19)5-1-3-12(20)13-4-2-10-21-13/h2,4,10H,1,3,5-9,11H2
InChIKeyFGMCBXGNTNLTLQ-UHFFFAOYSA-N
XLogP2.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 62773651
3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 94270119
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride
CID 12739150
3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 82122856
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 112626449
4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one
CID 60692143
3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one
CID 170859322
4-[3-(dimethylamino)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 63163843
1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one
CID 62491674
4-[3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 60688496
3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 3022656

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one (CID 62968235) is 1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one is O=C(CCCN1CCN(CC(F)(F)F)CC1)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one?
The InChIKey is FGMCBXGNTNLTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c15-14(16,17)11-19-8-6-18(7-9-19)5-1-3-12(20)13-4-2-10-21-13/h2,4,10H,1,3,5-9,11H2.
What are the key properties of 1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one?
1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one has a molecular weight of 320.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 62968235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).