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

C19H20ClFN2OS — CID 3440657

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone
SMILESO=C(CSCc1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClFN2OS/c20-16-3-7-18(8-4-16)22-9-11-23(12-10-22)19(24)14-25-13-15-1-5-17(21)6-2-15/h1-8H,9-14H2
InChIKeyHTQYSKXILWHPOW-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.06
Rot. Bonds5

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

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone (PubChem CID 3440657) has the molecular formula C19H20ClFN2OS and a molecular weight of 378.90 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone
PubChem CID3440657
Molecular FormulaC19H20ClFN2OS
Molecular Weight378.90 g/mol
Exact Mass378.10
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone
SMILESO=C(CSCc1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClFN2OS/c20-16-3-7-18(8-4-16)22-9-11-23(12-10-22)19(24)14-25-13-15-1-5-17(21)6-2-15/h1-8H,9-14H2
InChIKeyHTQYSKXILWHPOW-UHFFFAOYSA-N
XLogP4.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone (CID 3440657) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone is O=C(CSCc1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone?
The InChIKey is HTQYSKXILWHPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2OS/c20-16-3-7-18(8-4-16)22-9-11-23(12-10-22)19(24)14-25-13-15-1-5-17(21)6-2-15/h1-8H,9-14H2.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone?
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone has a molecular weight of 378.90 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methylsulfanyl]ethanone is sourced from PubChem (CID 3440657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).