1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine

C15H26N2S — CID 64925555

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(C(C)c2cc(C)sc2C)CCN1
InChIInChI=1S/C15H26N2S/c1-6-15(5)10-17(8-7-16-15)12(3)14-9-11(2)18-13(14)4/h9,12,16H,6-8,10H2,1-5H3
InChIKeyXANNJXGIVPROCR-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.50
Rot. Bonds3

About 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine (PubChem CID 64925555) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine
PubChem CID64925555
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(C(C)c2cc(C)sc2C)CCN1
InChIInChI=1S/C15H26N2S/c1-6-15(5)10-17(8-7-16-15)12(3)14-9-11(2)18-13(14)4/h9,12,16H,6-8,10H2,1-5H3
InChIKeyXANNJXGIVPROCR-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine (CID 64925555) is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine is CCC1(C)CN(C(C)c2cc(C)sc2C)CCN1.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine?
The InChIKey is XANNJXGIVPROCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-6-15(5)10-17(8-7-16-15)12(3)14-9-11(2)18-13(14)4/h9,12,16H,6-8,10H2,1-5H3.
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine?
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine has a molecular weight of 266.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-3-methylpiperazine is sourced from PubChem (CID 64925555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).