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

C20H23FN2OS — CID 6458145

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone
SMILESCCCSc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2OS/c1-2-15-25-19-6-4-3-5-18(19)20(24)23-13-11-22(12-14-23)17-9-7-16(21)8-10-17/h3-10H,2,11-15H2,1H3
InChIKeyXKSHEFSMWSQKOT-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.29
Rot. Bonds5

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

[4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone (PubChem CID 6458145) has the molecular formula C20H23FN2OS and a molecular weight of 358.48 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone
PubChem CID6458145
Molecular FormulaC20H23FN2OS
Molecular Weight358.48 g/mol
Exact Mass358.15
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone
SMILESCCCSc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2OS/c1-2-15-25-19-6-4-3-5-18(19)20(24)23-13-11-22(12-14-23)17-9-7-16(21)8-10-17/h3-10H,2,11-15H2,1H3
InChIKeyXKSHEFSMWSQKOT-UHFFFAOYSA-N
XLogP4.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
(2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 2997168
2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
CID 60556704
(3-amino-2-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 28723150
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone
CID 27777428
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-propylsulfanylphenyl)methanone
CID 27777431
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78873933
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone
CID 46797418
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-[4-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]phenyl]ethanone
CID 17466011
(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076207
[4-(4-fluorophenyl)piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575308

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone (CID 6458145) is [4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone is CCCSc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone?
The InChIKey is XKSHEFSMWSQKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2OS/c1-2-15-25-19-6-4-3-5-18(19)20(24)23-13-11-22(12-14-23)17-9-7-16(21)8-10-17/h3-10H,2,11-15H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone has a molecular weight of 358.48 g/mol, XLogP of 4.29, 5 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-propylsulfanylphenyl)methanone is sourced from PubChem (CID 6458145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).