1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine

C18H22N2OS — CID 118489532

IUPAC1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine
SMILESCc1ccc(Sc2ccccc2N2CCN(O)CC2)c(C)c1
InChIInChI=1S/C18H22N2OS/c1-14-7-8-17(15(2)13-14)22-18-6-4-3-5-16(18)19-9-11-20(21)12-10-19/h3-8,13,21H,9-12H2,1-2H3
InChIKeySFZVSIQLKIWKAK-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.97
Rot. Bonds3

About 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine

1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine (PubChem CID 118489532) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine
PubChem CID118489532
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine
SMILESCc1ccc(Sc2ccccc2N2CCN(O)CC2)c(C)c1
InChIInChI=1S/C18H22N2OS/c1-14-7-8-17(15(2)13-14)22-18-6-4-3-5-16(18)19-9-11-20(21)12-10-19/h3-8,13,21H,9-12H2,1-2H3
InChIKeySFZVSIQLKIWKAK-UHFFFAOYSA-N
XLogP3.97
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine (CID 118489532) is 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine is Cc1ccc(Sc2ccccc2N2CCN(O)CC2)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine?
The InChIKey is SFZVSIQLKIWKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14-7-8-17(15(2)13-14)22-18-6-4-3-5-16(18)19-9-11-20(21)12-10-19/h3-8,13,21H,9-12H2,1-2H3.
What are the key properties of 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine?
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine has a molecular weight of 314.45 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-hydroxypiperazine is sourced from PubChem (CID 118489532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).