1-(2,3-dihydrothiophen-2-yl)piperazine

C8H14N2S — CID 68956121

IUPAC1-(2,3-dihydrothiophen-2-yl)piperazine
SMILESC1=CSC(N2CCNCC2)C1
InChIInChI=1S/C8H14N2S/c1-2-8(11-7-1)10-5-3-9-4-6-10/h1,7-9H,2-6H2
InChIKeyCBPOAFYAJNOKNY-UHFFFAOYSA-N
MW170.28 g/mol
LogP0.87
Rot. Bonds1

About 1-(2,3-dihydrothiophen-2-yl)piperazine

1-(2,3-dihydrothiophen-2-yl)piperazine (PubChem CID 68956121) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-2-yl)piperazine.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-2-yl)piperazine
PubChem CID68956121
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name1-(2,3-dihydrothiophen-2-yl)piperazine
SMILESC1=CSC(N2CCNCC2)C1
InChIInChI=1S/C8H14N2S/c1-2-8(11-7-1)10-5-3-9-4-6-10/h1,7-9H,2-6H2
InChIKeyCBPOAFYAJNOKNY-UHFFFAOYSA-N
XLogP0.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrothiophen-2-yl)piperazine?
The IUPAC name of 1-(2,3-dihydrothiophen-2-yl)piperazine (CID 68956121) is 1-(2,3-dihydrothiophen-2-yl)piperazine.
What is the SMILES notation for 1-(2,3-dihydrothiophen-2-yl)piperazine?
The canonical SMILES for 1-(2,3-dihydrothiophen-2-yl)piperazine is C1=CSC(N2CCNCC2)C1.
What is the InChIKey of 1-(2,3-dihydrothiophen-2-yl)piperazine?
The InChIKey is CBPOAFYAJNOKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-2-8(11-7-1)10-5-3-9-4-6-10/h1,7-9H,2-6H2.
What are the key properties of 1-(2,3-dihydrothiophen-2-yl)piperazine?
1-(2,3-dihydrothiophen-2-yl)piperazine has a molecular weight of 170.28 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrothiophen-2-yl)piperazine is sourced from PubChem (CID 68956121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).