2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine

C13H22N2S — CID 64832567

IUPAC2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC1(C)CNCCN1CCc1ccsc1
InChIInChI=1S/C13H22N2S/c1-3-13(2)11-14-6-8-15(13)7-4-12-5-9-16-10-12/h5,9-10,14H,3-4,6-8,11H2,1-2H3
InChIKeyNEDJAKHYXFLOOX-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.36
Rot. Bonds4

About 2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine

2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine (PubChem CID 64832567) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
PubChem CID64832567
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC1(C)CNCCN1CCc1ccsc1
InChIInChI=1S/C13H22N2S/c1-3-13(2)11-14-6-8-15(13)7-4-12-5-9-16-10-12/h5,9-10,14H,3-4,6-8,11H2,1-2H3
InChIKeyNEDJAKHYXFLOOX-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64847295
5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64841192
2-ethyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64846789
2,5,5-triethyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64860267
2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid
CID 104598702
5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64848061
2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
CID 64838670
2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 83080277
2-methyl-2-(2-thiophen-3-ylethyl)azepane
CID 79117598
1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116570036
1-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-2-methylpiperazine
CID 64844415
1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine
CID 66194837

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine?
The IUPAC name of 2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine (CID 64832567) is 2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine.
What is the SMILES notation for 2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine?
The canonical SMILES for 2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine is CCC1(C)CNCCN1CCc1ccsc1.
What is the InChIKey of 2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine?
The InChIKey is NEDJAKHYXFLOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-13(2)11-14-6-8-15(13)7-4-12-5-9-16-10-12/h5,9-10,14H,3-4,6-8,11H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine?
2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine has a molecular weight of 238.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine is sourced from PubChem (CID 64832567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).