1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride

C17H20ClFN2S — CID 53237432

IUPAC1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride
SMILESCc1ccc(Sc2ccc(F)cc2)c(N2CCNCC2)c1.Cl
InChIInChI=1S/C17H19FN2S.ClH/c1-13-2-7-17(21-15-5-3-14(18)4-6-15)16(12-13)20-10-8-19-9-11-20;/h2-7,12,19H,8-11H2,1H3;1H
InChIKeyMUIUIEFHOZRYHZ-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.12
Rot. Bonds3

About 1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride

1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride (PubChem CID 53237432) has the molecular formula C17H20ClFN2S and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride
PubChem CID53237432
Molecular FormulaC17H20ClFN2S
Molecular Weight338.88 g/mol
Exact Mass338.10
IUPAC Name1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride
SMILESCc1ccc(Sc2ccc(F)cc2)c(N2CCNCC2)c1.Cl
InChIInChI=1S/C17H19FN2S.ClH/c1-13-2-7-17(21-15-5-3-14(18)4-6-15)16(12-13)20-10-8-19-9-11-20;/h2-7,12,19H,8-11H2,1H3;1H
InChIKeyMUIUIEFHOZRYHZ-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride (CID 53237432) is 1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride is Cc1ccc(Sc2ccc(F)cc2)c(N2CCNCC2)c1.Cl.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride?
The InChIKey is MUIUIEFHOZRYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2S.ClH/c1-13-2-7-17(21-15-5-3-14(18)4-6-15)16(12-13)20-10-8-19-9-11-20;/h2-7,12,19H,8-11H2,1H3;1H.
What are the key properties of 1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride?
1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]piperazine;hydrochloride is sourced from PubChem (CID 53237432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).