5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine

C17H22N2S — CID 66355212

IUPAC5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine
SMILESCCC1(C)CN(c2ccsc2)C(c2ccccc2)CN1
InChIInChI=1S/C17H22N2S/c1-3-17(2)13-19(15-9-10-20-12-15)16(11-18-17)14-7-5-4-6-8-14/h4-10,12,16,18H,3,11,13H2,1-2H3
InChIKeyHCALFONGLJFWCY-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.07
Rot. Bonds3

About 5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine

5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine (PubChem CID 66355212) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine
PubChem CID66355212
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine
SMILESCCC1(C)CN(c2ccsc2)C(c2ccccc2)CN1
InChIInChI=1S/C17H22N2S/c1-3-17(2)13-19(15-9-10-20-12-15)16(11-18-17)14-7-5-4-6-8-14/h4-10,12,16,18H,3,11,13H2,1-2H3
InChIKeyHCALFONGLJFWCY-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine?
The IUPAC name of 5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine (CID 66355212) is 5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine.
What is the SMILES notation for 5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine?
The canonical SMILES for 5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine is CCC1(C)CN(c2ccsc2)C(c2ccccc2)CN1.
What is the InChIKey of 5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine?
The InChIKey is HCALFONGLJFWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-17(2)13-19(15-9-10-20-12-15)16(11-18-17)14-7-5-4-6-8-14/h4-10,12,16,18H,3,11,13H2,1-2H3.
What are the key properties of 5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine?
5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine has a molecular weight of 286.44 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine is sourced from PubChem (CID 66355212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).