2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine

C16H26N2S — CID 64934482

IUPAC2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine
SMILESCSc1cccc(N2CC(CC(C)C)NCC2C)c1
InChIInChI=1S/C16H26N2S/c1-12(2)8-14-11-18(13(3)10-17-14)15-6-5-7-16(9-15)19-4/h5-7,9,12-14,17H,8,10-11H2,1-4H3
InChIKeyWAGIJXVVYWODQT-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.62
Rot. Bonds4

About 2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine

2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine (PubChem CID 64934482) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine
PubChem CID64934482
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine
SMILESCSc1cccc(N2CC(CC(C)C)NCC2C)c1
InChIInChI=1S/C16H26N2S/c1-12(2)8-14-11-18(13(3)10-17-14)15-6-5-7-16(9-15)19-4/h5-7,9,12-14,17H,8,10-11H2,1-4H3
InChIKeyWAGIJXVVYWODQT-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

2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine
CID 107646391
1-(2,6-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603846
1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946904
1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603926
1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64935877
1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930366
1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930047
5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine
CID 64934290
2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine
CID 64934538
1-(2,4-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946822
5-ethyl-2-methyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64930789
2-methyl-1-(3-methylphenyl)-5-propan-2-ylpiperazine
CID 64952301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine (CID 64934482) is 2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine is CSc1cccc(N2CC(CC(C)C)NCC2C)c1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine?
The InChIKey is WAGIJXVVYWODQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12(2)8-14-11-18(13(3)10-17-14)15-6-5-7-16(9-15)19-4/h5-7,9,12-14,17H,8,10-11H2,1-4H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine?
2-methyl-5-(2-methylpropyl)-1-(3-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-(3-methylsulfanylphenyl)piperazine is sourced from PubChem (CID 64934482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).