5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine

C15H32N2S — CID 113478263

IUPAC5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1C(C)CCSC
InChIInChI=1S/C15H32N2S/c1-7-13-10-16-14(15(3,4)5)11-17(13)12(2)8-9-18-6/h12-14,16H,7-11H2,1-6H3
InChIKeyIFWVUIYMAOTPFT-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.23
Rot. Bonds5

About 5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine

5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine (PubChem CID 113478263) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine
PubChem CID113478263
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Name5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1C(C)CCSC
InChIInChI=1S/C15H32N2S/c1-7-13-10-16-14(15(3,4)5)11-17(13)12(2)8-9-18-6/h12-14,16H,7-11H2,1-6H3
InChIKeyIFWVUIYMAOTPFT-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine
CID 113478280
5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64940687
5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine
CID 114202526
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761
5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine
CID 64945887
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627
2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938399
5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine
CID 83169228
5-tert-butyl-1-(2-methylpropyl)-2-propylpiperazine
CID 64841242
5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine
CID 107646420
3-ethyl-2-(4-methylsulfanylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 113478249
2,5-diethyl-1-hexan-2-ylpiperazine
CID 64947739

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine (CID 113478263) is 5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine is CCC1CNC(C(C)(C)C)CN1C(C)CCSC.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine?
The InChIKey is IFWVUIYMAOTPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-7-13-10-16-14(15(3,4)5)11-17(13)12(2)8-9-18-6/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine?
5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine has a molecular weight of 272.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine is sourced from PubChem (CID 113478263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).