1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine

C16H19N3S — CID 39818397

IUPAC1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine
SMILESCSc1ccc(-c2cccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C16H19N3S/c1-20-14-7-5-13(6-8-14)15-3-2-4-16(18-15)19-11-9-17-10-12-19/h2-8,17H,9-12H2,1H3
InChIKeyCIGIGWUOZQLAST-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.88
Rot. Bonds3

About 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine

1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine (PubChem CID 39818397) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine
PubChem CID39818397
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine
SMILESCSc1ccc(-c2cccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C16H19N3S/c1-20-14-7-5-13(6-8-14)15-3-2-4-16(18-15)19-11-9-17-10-12-19/h2-8,17H,9-12H2,1H3
InChIKeyCIGIGWUOZQLAST-UHFFFAOYSA-N
XLogP2.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine (CID 39818397) is 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine is CSc1ccc(-c2cccc(N3CCNCC3)n2)cc1.
What is the InChIKey of 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine?
The InChIKey is CIGIGWUOZQLAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-20-14-7-5-13(6-8-14)15-3-2-4-16(18-15)19-11-9-17-10-12-19/h2-8,17H,9-12H2,1H3.
What are the key properties of 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine?
1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine has a molecular weight of 285.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 39818397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).