1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone

C15H21FN2OS — CID 30390639

IUPAC1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone
SMILESCCN1CCN(C(=O)CSCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2OS/c1-2-17-7-9-18(10-8-17)15(19)12-20-11-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyRRESYKPPTPZRNJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.22
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone

1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone (PubChem CID 30390639) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone
PubChem CID30390639
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone
SMILESCCN1CCN(C(=O)CSCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2OS/c1-2-17-7-9-18(10-8-17)15(19)12-20-11-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyRRESYKPPTPZRNJ-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone (CID 30390639) is 1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone is CCN1CCN(C(=O)CSCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone?
The InChIKey is RRESYKPPTPZRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-2-17-7-9-18(10-8-17)15(19)12-20-11-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone has a molecular weight of 296.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[(4-fluorophenyl)methylsulfanyl]ethanone is sourced from PubChem (CID 30390639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).