1-(thiophen-2-ylmethyl)piperazine;dihydrochloride

C9H16Cl2N2S — CID 45074832

IUPAC1-(thiophen-2-ylmethyl)piperazine;dihydrochloride
SMILESCl.Cl.c1csc(CN2CCNCC2)c1
InChIInChI=1S/C9H14N2S.2ClH/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;;/h1-2,7,10H,3-6,8H2;2*1H
InChIKeyZZUFFOQIEWLWAY-UHFFFAOYSA-N
MW255.21 g/mol
LogP2.00
Rot. Bonds2

About 1-(thiophen-2-ylmethyl)piperazine;dihydrochloride

1-(thiophen-2-ylmethyl)piperazine;dihydrochloride (PubChem CID 45074832) has the molecular formula C9H16Cl2N2S and a molecular weight of 255.21 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)piperazine;dihydrochloride
PubChem CID45074832
Molecular FormulaC9H16Cl2N2S
Molecular Weight255.21 g/mol
Exact Mass254.04
IUPAC Name1-(thiophen-2-ylmethyl)piperazine;dihydrochloride
SMILESCl.Cl.c1csc(CN2CCNCC2)c1
InChIInChI=1S/C9H14N2S.2ClH/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;;/h1-2,7,10H,3-6,8H2;2*1H
InChIKeyZZUFFOQIEWLWAY-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)piperazine;dihydrochloride?
The IUPAC name of 1-(thiophen-2-ylmethyl)piperazine;dihydrochloride (CID 45074832) is 1-(thiophen-2-ylmethyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(thiophen-2-ylmethyl)piperazine;dihydrochloride is Cl.Cl.c1csc(CN2CCNCC2)c1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)piperazine;dihydrochloride?
The InChIKey is ZZUFFOQIEWLWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.2ClH/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;;/h1-2,7,10H,3-6,8H2;2*1H.
What are the key properties of 1-(thiophen-2-ylmethyl)piperazine;dihydrochloride?
1-(thiophen-2-ylmethyl)piperazine;dihydrochloride has a molecular weight of 255.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)piperazine;dihydrochloride is sourced from PubChem (CID 45074832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).