[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone

C18H19FN2OS — CID 2222303

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2OS/c1-23-17-5-3-2-4-16(17)18(22)21-12-10-20(11-13-21)15-8-6-14(19)7-9-15/h2-9H,10-13H2,1H3
InChIKeySPKWVYIHEXIFFF-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.51
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 2222303) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID2222303
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2OS/c1-23-17-5-3-2-4-16(17)18(22)21-12-10-20(11-13-21)15-8-6-14(19)7-9-15/h2-9H,10-13H2,1H3
InChIKeySPKWVYIHEXIFFF-UHFFFAOYSA-N
XLogP3.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzoyl-4-phenylpiperazine
CID 258240
5-Propylbenzo[b][1,4]benzothiazepin-6-one
CID 453911
N-[2-[4-(4-Methylphenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788870
1-Benzoyl-4-(2-fluorophenyl)piperazine
CID 2261366
4-Methylphenyl 4-[3-(trifluoromethyl)phenyl]piperazinyl ketone
CID 807901
(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide
CID 2540090
1-[3-Fluoro-4-[3-methyl-4-(2-thienylcarbonyl)-1-piperazinyl]phenyl]ethanone
CID 2939373
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106
3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24818355
1-Phenyl-4-[phenyl(phenylsulfanyl)acetyl]piperazine
CID 2886289
N-benzyl-2-methylsulfonyl-N-phenylbenzamide
CID 8892628

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone (CID 2222303) is [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is SPKWVYIHEXIFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-23-17-5-3-2-4-16(17)18(22)21-12-10-20(11-13-21)15-8-6-14(19)7-9-15/h2-9H,10-13H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 330.43 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 2222303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).