2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine

C15H26N2S — CID 64844009

IUPAC2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESCC1CN(CCc2cccs2)C(C(C)(C)C)CN1
InChIInChI=1S/C15H26N2S/c1-12-11-17(8-7-13-6-5-9-18-13)14(10-16-12)15(2,3)4/h5-6,9,12,14,16H,7-8,10-11H2,1-4H3
InChIKeyKLHBUBBAQWHOEF-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.00
Rot. Bonds3

About 2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine

2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine (PubChem CID 64844009) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
PubChem CID64844009
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESCC1CN(CCc2cccs2)C(C(C)(C)C)CN1
InChIInChI=1S/C15H26N2S/c1-12-11-17(8-7-13-6-5-9-18-13)14(10-16-12)15(2,3)4/h5-6,9,12,14,16H,7-8,10-11H2,1-4H3
InChIKeyKLHBUBBAQWHOEF-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-tert-butyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64849403
8-tert-butyl-9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64878537
2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64845507
4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
CID 130948914
5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine
CID 130825934
2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 64980594
2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984
2-tert-butyl-5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592038
2-tert-butyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-5-methylpiperazine
CID 79205844
2-cyclopropyl-5-ethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64843303
2,5-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64859740
2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64840895

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine?
The IUPAC name of 2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine (CID 64844009) is 2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine?
The canonical SMILES for 2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine is CC1CN(CCc2cccs2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine?
The InChIKey is KLHBUBBAQWHOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12-11-17(8-7-13-6-5-9-18-13)14(10-16-12)15(2,3)4/h5-6,9,12,14,16H,7-8,10-11H2,1-4H3.
What are the key properties of 2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine?
2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine has a molecular weight of 266.45 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 64844009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).