[4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone

C15H16FN2OS+ — CID 4278815

IUPAC[4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC[NH+](c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN2OS/c16-12-3-5-13(6-4-12)17-7-9-18(10-8-17)15(19)14-2-1-11-20-14/h1-6,11H,7-10H2/p+1
InChIKeyOASJDBFNWFFIKA-UHFFFAOYSA-O
MW291.37 g/mol
LogP1.56
Rot. Bonds2

About [4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone

[4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone (PubChem CID 4278815) has the molecular formula C15H16FN2OS+ and a molecular weight of 291.37 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
PubChem CID4278815
Molecular FormulaC15H16FN2OS+
Molecular Weight291.37 g/mol
Exact Mass291.10
IUPAC Name[4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CC[NH+](c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN2OS/c16-12-3-5-13(6-4-12)17-7-9-18(10-8-17)15(19)14-2-1-11-20-14/h1-6,11H,7-10H2/p+1
InChIKeyOASJDBFNWFFIKA-UHFFFAOYSA-O
XLogP1.56
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-chlorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 5096434
[4-(2-chlorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 4295836
(4-methanidyl-1,4-diazepan-4-ium-1-yl)-thiophen-2-ylmethanone
CID 20723386
(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
CID 6965529
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[2-(4-fluorophenyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42949369
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
[4-[4-[(4-fluorophenoxy)methyl]thiophene-2-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 19469589
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(1-adamantyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 7121965
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone (CID 4278815) is [4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CC[NH+](c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone?
The InChIKey is OASJDBFNWFFIKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15FN2OS/c16-12-3-5-13(6-4-12)17-7-9-18(10-8-17)15(19)14-2-1-11-20-14/h1-6,11H,7-10H2/p+1.
What are the key properties of [4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone?
[4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone has a molecular weight of 291.37 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 4278815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).