5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine

C13H22N2S — CID 66353525

IUPAC5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine
SMILESCCC1(CC)CN(c2ccsc2)C(C)CN1
InChIInChI=1S/C13H22N2S/c1-4-13(5-2)10-15(11(3)8-14-13)12-6-7-16-9-12/h6-7,9,11,14H,4-5,8,10H2,1-3H3
InChIKeyPIWWGBCCZYRRDU-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.11
Rot. Bonds3

About 5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine

5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine (PubChem CID 66353525) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine
PubChem CID66353525
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine
SMILESCCC1(CC)CN(c2ccsc2)C(C)CN1
InChIInChI=1S/C13H22N2S/c1-4-13(5-2)10-15(11(3)8-14-13)12-6-7-16-9-12/h6-7,9,11,14H,4-5,8,10H2,1-3H3
InChIKeyPIWWGBCCZYRRDU-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine?
The IUPAC name of 5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine (CID 66353525) is 5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine.
What is the SMILES notation for 5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine?
The canonical SMILES for 5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine is CCC1(CC)CN(c2ccsc2)C(C)CN1.
What is the InChIKey of 5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine?
The InChIKey is PIWWGBCCZYRRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-13(5-2)10-15(11(3)8-14-13)12-6-7-16-9-12/h6-7,9,11,14H,4-5,8,10H2,1-3H3.
What are the key properties of 5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine?
5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine has a molecular weight of 238.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine is sourced from PubChem (CID 66353525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).