5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine

C14H24N2S — CID 64841192

IUPAC5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC1CN(CCc2ccsc2)C(C)(C)CN1
InChIInChI=1S/C14H24N2S/c1-4-13-9-16(14(2,3)11-15-13)7-5-12-6-8-17-10-12/h6,8,10,13,15H,4-5,7,9,11H2,1-3H3
InChIKeyKHGIJKKQULOFTB-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.75
Rot. Bonds4

About 5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine

5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine (PubChem CID 64841192) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
PubChem CID64841192
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC1CN(CCc2ccsc2)C(C)(C)CN1
InChIInChI=1S/C14H24N2S/c1-4-13-9-16(14(2,3)11-15-13)7-5-12-6-8-17-10-12/h6,8,10,13,15H,4-5,7,9,11H2,1-3H3
InChIKeyKHGIJKKQULOFTB-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
CID 64838670
5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64848061
5-butan-2-yl-2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64847295
2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64832567
5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64862066
5-ethyl-2,2-dimethyl-1-pentylpiperazine
CID 64843523
2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine
CID 64849303
1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841778
5-ethyl-2,2-dimethyl-1-[(2-methylphenyl)methyl]piperazine
CID 64843913
2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64845507
3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64839410
5-cyclopropyl-2-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64875957

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine?
The IUPAC name of 5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine (CID 64841192) is 5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine.
What is the SMILES notation for 5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine?
The canonical SMILES for 5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine is CCC1CN(CCc2ccsc2)C(C)(C)CN1.
What is the InChIKey of 5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine?
The InChIKey is KHGIJKKQULOFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-13-9-16(14(2,3)11-15-13)7-5-12-6-8-17-10-12/h6,8,10,13,15H,4-5,7,9,11H2,1-3H3.
What are the key properties of 5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine?
5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine has a molecular weight of 252.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine is sourced from PubChem (CID 64841192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).