2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine

C16H26N2S — CID 107646391

IUPAC2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine
SMILESCSc1ccccc1N1CC(CC(C)C)NCC1C
InChIInChI=1S/C16H26N2S/c1-12(2)9-14-11-18(13(3)10-17-14)15-7-5-6-8-16(15)19-4/h5-8,12-14,17H,9-11H2,1-4H3
InChIKeyIWYMFPWCEJQNCG-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.62
Rot. Bonds4

About 2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine

2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine (PubChem CID 107646391) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine
PubChem CID107646391
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine
SMILESCSc1ccccc1N1CC(CC(C)C)NCC1C
InChIInChI=1S/C16H26N2S/c1-12(2)9-14-11-18(13(3)10-17-14)15-7-5-6-8-16(15)19-4/h5-8,12-14,17H,9-11H2,1-4H3
InChIKeyIWYMFPWCEJQNCG-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946904
1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64935877
2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine
CID 64934482
1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930047
1-(2,6-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603846
1-(2,4-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946822
1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603926
(2S,4aR)-2-(2-methylpropyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
CID 46850022
2-methyl-5-(2-methylpropyl)-1-(3-phenylbutyl)piperazine
CID 64940204
1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930366
2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64932153
1-[(2-ethylphenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 64940136

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine (CID 107646391) is 2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine is CSc1ccccc1N1CC(CC(C)C)NCC1C.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine?
The InChIKey is IWYMFPWCEJQNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12(2)9-14-11-18(13(3)10-17-14)15-7-5-6-8-16(15)19-4/h5-8,12-14,17H,9-11H2,1-4H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine?
2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine has a molecular weight of 278.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine is sourced from PubChem (CID 107646391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).