1-(1-benzothiophen-4-yl)piperazine;hydrochloride

C12H15ClN2S — CID 57482541

IUPAC1-(1-benzothiophen-4-yl)piperazine;hydrochloride
SMILESCl.c1cc(N2CCNCC2)c2ccsc2c1
InChIInChI=1S/C12H14N2S.ClH/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;/h1-4,9,13H,5-8H2;1H
InChIKeyXDUUWPNOUUQXBX-UHFFFAOYSA-N
MW254.79 g/mol
LogP2.73
Rot. Bonds1

About 1-(1-benzothiophen-4-yl)piperazine;hydrochloride

1-(1-benzothiophen-4-yl)piperazine;hydrochloride (PubChem CID 57482541) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is 1-(1-benzothiophen-4-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzothiophen-4-yl)piperazine;hydrochloride
PubChem CID57482541
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC Name1-(1-benzothiophen-4-yl)piperazine;hydrochloride
SMILESCl.c1cc(N2CCNCC2)c2ccsc2c1
InChIInChI=1S/C12H14N2S.ClH/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;/h1-4,9,13H,5-8H2;1H
InChIKeyXDUUWPNOUUQXBX-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-4-yl)piperazine;hydrochloride?
The IUPAC name of 1-(1-benzothiophen-4-yl)piperazine;hydrochloride (CID 57482541) is 1-(1-benzothiophen-4-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(1-benzothiophen-4-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(1-benzothiophen-4-yl)piperazine;hydrochloride is Cl.c1cc(N2CCNCC2)c2ccsc2c1.
What is the InChIKey of 1-(1-benzothiophen-4-yl)piperazine;hydrochloride?
The InChIKey is XDUUWPNOUUQXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S.ClH/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;/h1-4,9,13H,5-8H2;1H.
What are the key properties of 1-(1-benzothiophen-4-yl)piperazine;hydrochloride?
1-(1-benzothiophen-4-yl)piperazine;hydrochloride has a molecular weight of 254.79 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-4-yl)piperazine;hydrochloride is sourced from PubChem (CID 57482541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).