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

C9H15ClN2S — CID 2760623

IUPAC1-(thiophen-2-ylmethyl)piperazine;hydrochloride
SMILESCl.c1csc(CN2CCNCC2)c1
InChIInChI=1S/C9H14N2S.ClH/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;/h1-2,7,10H,3-6,8H2;1H
InChIKeyRNEIDCYWKLOMGA-UHFFFAOYSA-N
MW218.75 g/mol
LogP1.58
Rot. Bonds2

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

1-(thiophen-2-ylmethyl)piperazine;hydrochloride (PubChem CID 2760623) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)piperazine;hydrochloride
PubChem CID2760623
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC Name1-(thiophen-2-ylmethyl)piperazine;hydrochloride
SMILESCl.c1csc(CN2CCNCC2)c1
InChIInChI=1S/C9H14N2S.ClH/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;/h1-2,7,10H,3-6,8H2;1H
InChIKeyRNEIDCYWKLOMGA-UHFFFAOYSA-N
XLogP1.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 51.58
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;hydrochloride?
The IUPAC name of 1-(thiophen-2-ylmethyl)piperazine;hydrochloride (CID 2760623) is 1-(thiophen-2-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 1-(thiophen-2-ylmethyl)piperazine;hydrochloride is Cl.c1csc(CN2CCNCC2)c1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)piperazine;hydrochloride?
The InChIKey is RNEIDCYWKLOMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.ClH/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;/h1-2,7,10H,3-6,8H2;1H.
What are the key properties of 1-(thiophen-2-ylmethyl)piperazine;hydrochloride?
1-(thiophen-2-ylmethyl)piperazine;hydrochloride has a molecular weight of 218.75 g/mol, XLogP of 1.58, 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;hydrochloride is sourced from PubChem (CID 2760623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).