2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine

C18H32N2S — CID 64840895

IUPAC2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCC(C)(C)C1CN(CCc2ccsc2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H32N2S/c1-17(2,3)15-12-20(9-7-14-8-10-21-13-14)16(11-19-15)18(4,5)6/h8,10,13,15-16,19H,7,9,11-12H2,1-6H3
InChIKeyRJHDVYUBGXHOLM-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.03
Rot. Bonds3

About 2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine

2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine (PubChem CID 64840895) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine.

Molecular Properties

Compound Name2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine
PubChem CID64840895
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCC(C)(C)C1CN(CCc2ccsc2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H32N2S/c1-17(2,3)15-12-20(9-7-14-8-10-21-13-14)16(11-19-15)18(4,5)6/h8,10,13,15-16,19H,7,9,11-12H2,1-6H3
InChIKeyRJHDVYUBGXHOLM-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-ditert-butyl-1-(thiophen-3-ylmethyl)piperazine
CID 64842232
2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64860254
3-tert-butyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64869318
2,5-ditert-butyl-1-(2-methylsulfanylethyl)piperazine
CID 113474527
5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
CID 64930181
2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine
CID 64849303
2,5-ditert-butyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64840896
5-cyclopropyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
CID 64861458
5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64842067
3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine
CID 127001246
5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64841192
2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine
CID 103016292

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine?
The IUPAC name of 2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine (CID 64840895) is 2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine.
What is the SMILES notation for 2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine?
The canonical SMILES for 2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine is CC(C)(C)C1CN(CCc2ccsc2)C(C(C)(C)C)CN1.
What is the InChIKey of 2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine?
The InChIKey is RJHDVYUBGXHOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-17(2,3)15-12-20(9-7-14-8-10-21-13-14)16(11-19-15)18(4,5)6/h8,10,13,15-16,19H,7,9,11-12H2,1-6H3.
What are the key properties of 2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine?
2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine has a molecular weight of 308.53 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine is sourced from PubChem (CID 64840895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).