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

C13H22N2S — CID 64953980

IUPAC3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine
SMILESCCC1(C)CN(C(C)c2ccsc2)CCN1
InChIInChI=1S/C13H22N2S/c1-4-13(3)10-15(7-6-14-13)11(2)12-5-8-16-9-12/h5,8-9,11,14H,4,6-7,10H2,1-3H3
InChIKeyMGGDZEYUMHQEOW-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.88
Rot. Bonds3

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

3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine (PubChem CID 64953980) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine
PubChem CID64953980
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine
SMILESCCC1(C)CN(C(C)c2ccsc2)CCN1
InChIInChI=1S/C13H22N2S/c1-4-13(3)10-15(7-6-14-13)11(2)12-5-8-16-9-12/h5,8-9,11,14H,4,6-7,10H2,1-3H3
InChIKeyMGGDZEYUMHQEOW-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine?
The IUPAC name of 3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine (CID 64953980) is 3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine.
What is the SMILES notation for 3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine?
The canonical SMILES for 3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine is CCC1(C)CN(C(C)c2ccsc2)CCN1.
What is the InChIKey of 3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine?
The InChIKey is MGGDZEYUMHQEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-13(3)10-15(7-6-14-13)11(2)12-5-8-16-9-12/h5,8-9,11,14H,4,6-7,10H2,1-3H3.
What are the key properties of 3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine?
3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine has a molecular weight of 238.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine is sourced from PubChem (CID 64953980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).