1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine

C15H24N2S — CID 116931963

IUPAC1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine
SMILESCSc1ccc(CCC(C)N2CCNCC2)cc1
InChIInChI=1S/C15H24N2S/c1-13(17-11-9-16-10-12-17)3-4-14-5-7-15(18-2)8-6-14/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyFZOBIBBZKHACCS-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.63
Rot. Bonds5

About 1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine

1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine (PubChem CID 116931963) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine
PubChem CID116931963
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine
SMILESCSc1ccc(CCC(C)N2CCNCC2)cc1
InChIInChI=1S/C15H24N2S/c1-13(17-11-9-16-10-12-17)3-4-14-5-7-15(18-2)8-6-14/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyFZOBIBBZKHACCS-UHFFFAOYSA-N
XLogP2.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-propylphenyl)butan-2-yl]piperazine
CID 116931952
1-[4-(2-fluorophenyl)butan-2-yl]piperazine
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1-[4-(2-chlorophenyl)butan-2-yl]piperazine
CID 82044743
(3R)-3-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 96846750
1-[(1R)-2-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine
CID 171304812
1-[(1R)-3-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine;dihydrochloride
CID 171294587
1-(4-methylsulfanylbutan-2-yl)piperazine
CID 112703762
1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
CID 66202032
1-(3-iodobutyl)-4-methylsulfanylbenzene
CID 172781029
1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine
CID 112519407
1-[4-[(4-methylsulfanylphenyl)methyl]phenyl]piperazine
CID 4739565

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine?
The IUPAC name of 1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine (CID 116931963) is 1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine.
What is the SMILES notation for 1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine?
The canonical SMILES for 1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine is CSc1ccc(CCC(C)N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine?
The InChIKey is FZOBIBBZKHACCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-13(17-11-9-16-10-12-17)3-4-14-5-7-15(18-2)8-6-14/h5-8,13,16H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine?
1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine has a molecular weight of 264.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine is sourced from PubChem (CID 116931963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).