[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone

C15H14F2N2OS — CID 113081223

IUPAC[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C15H14F2N2OS/c16-11-3-1-4-12(17)14(11)18-6-8-19(9-7-18)15(20)13-5-2-10-21-13/h1-5,10H,6-9H2
InChIKeyJZYOONFBLWEBAQ-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.99
Rot. Bonds2

About [4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 113081223) has the molecular formula C15H14F2N2OS and a molecular weight of 308.35 g/mol. Its IUPAC name is [4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID113081223
Molecular FormulaC15H14F2N2OS
Molecular Weight308.35 g/mol
Exact Mass308.08
IUPAC Name[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C15H14F2N2OS/c16-11-3-1-4-12(17)14(11)18-6-8-19(9-7-18)15(20)13-5-2-10-21-13/h1-5,10H,6-9H2
InChIKeyJZYOONFBLWEBAQ-UHFFFAOYSA-N
XLogP2.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzonitrile
CID 51101924
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 133370657
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 133372675
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113076911
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113076408
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 110412017
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 113081223) is [4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of [4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is JZYOONFBLWEBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2OS/c16-11-3-1-4-12(17)14(11)18-6-8-19(9-7-18)15(20)13-5-2-10-21-13/h1-5,10H,6-9H2.
What are the key properties of [4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 308.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 113081223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).