1-(3-methylthiophen-2-yl)piperazine;hydrochloride

C9H15ClN2S — CID 22001583

IUPAC1-(3-methylthiophen-2-yl)piperazine;hydrochloride
SMILESCc1ccsc1N1CCNCC1.Cl
InChIInChI=1S/C9H14N2S.ClH/c1-8-2-7-12-9(8)11-5-3-10-4-6-11;/h2,7,10H,3-6H2,1H3;1H
InChIKeyBGHRJBWPIGYDGO-UHFFFAOYSA-N
MW218.75 g/mol
LogP1.89
Rot. Bonds1

About 1-(3-methylthiophen-2-yl)piperazine;hydrochloride

1-(3-methylthiophen-2-yl)piperazine;hydrochloride (PubChem CID 22001583) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)piperazine;hydrochloride
PubChem CID22001583
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC Name1-(3-methylthiophen-2-yl)piperazine;hydrochloride
SMILESCc1ccsc1N1CCNCC1.Cl
InChIInChI=1S/C9H14N2S.ClH/c1-8-2-7-12-9(8)11-5-3-10-4-6-11;/h2,7,10H,3-6H2,1H3;1H
InChIKeyBGHRJBWPIGYDGO-UHFFFAOYSA-N
XLogP1.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-(3-methylthiophen-2-yl)piperazine;hydrochloride (CID 22001583) is 1-(3-methylthiophen-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-methylthiophen-2-yl)piperazine;hydrochloride is Cc1ccsc1N1CCNCC1.Cl.
What is the InChIKey of 1-(3-methylthiophen-2-yl)piperazine;hydrochloride?
The InChIKey is BGHRJBWPIGYDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.ClH/c1-8-2-7-12-9(8)11-5-3-10-4-6-11;/h2,7,10H,3-6H2,1H3;1H.
What are the key properties of 1-(3-methylthiophen-2-yl)piperazine;hydrochloride?
1-(3-methylthiophen-2-yl)piperazine;hydrochloride has a molecular weight of 218.75 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 22001583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).