2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine

C13H22N2S — CID 64930896

IUPAC2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine
SMILESCCC1CNCCN1C(C)c1ccc(C)s1
InChIInChI=1S/C13H22N2S/c1-4-12-9-14-7-8-15(12)11(3)13-6-5-10(2)16-13/h5-6,11-12,14H,4,7-9H2,1-3H3
InChIKeyDYZIPRPLSWEHOX-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.80
Rot. Bonds3

About 2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine

2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine (PubChem CID 64930896) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine
PubChem CID64930896
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine
SMILESCCC1CNCCN1C(C)c1ccc(C)s1
InChIInChI=1S/C13H22N2S/c1-4-12-9-14-7-8-15(12)11(3)13-6-5-10(2)16-13/h5-6,11-12,14H,4,7-9H2,1-3H3
InChIKeyDYZIPRPLSWEHOX-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine 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 2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine?
The IUPAC name of 2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine (CID 64930896) is 2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine.
What is the SMILES notation for 2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine?
The canonical SMILES for 2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine is CCC1CNCCN1C(C)c1ccc(C)s1.
What is the InChIKey of 2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine?
The InChIKey is DYZIPRPLSWEHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-12-9-14-7-8-15(12)11(3)13-6-5-10(2)16-13/h5-6,11-12,14H,4,7-9H2,1-3H3.
What are the key properties of 2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine?
2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine has a molecular weight of 238.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine is sourced from PubChem (CID 64930896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).