1-ethyl-4-(thiophen-2-ylmethyl)piperazine

C11H18N2S — CID 763721

IUPAC1-ethyl-4-(thiophen-2-ylmethyl)piperazine
SMILESCCN1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H18N2S/c1-2-12-5-7-13(8-6-12)10-11-4-3-9-14-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyLUYLZTVDVDOJEO-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.89
Rot. Bonds3

About 1-ethyl-4-(thiophen-2-ylmethyl)piperazine

1-ethyl-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 763721) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-ethyl-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(thiophen-2-ylmethyl)piperazine
PubChem CID763721
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-ethyl-4-(thiophen-2-ylmethyl)piperazine
SMILESCCN1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H18N2S/c1-2-12-5-7-13(8-6-12)10-11-4-3-9-14-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyLUYLZTVDVDOJEO-UHFFFAOYSA-N
XLogP1.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-ethyl-4-(thiophen-2-ylmethyl)piperazine (CID 763721) is 1-ethyl-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-ethyl-4-(thiophen-2-ylmethyl)piperazine is CCN1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-ethyl-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is LUYLZTVDVDOJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-12-5-7-13(8-6-12)10-11-4-3-9-14-11/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 1-ethyl-4-(thiophen-2-ylmethyl)piperazine?
1-ethyl-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 210.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 763721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).