2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride

C10H15ClN2OS — CID 43810618

IUPAC2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCNCC1)c1cccs1
InChIInChI=1S/C10H14N2OS.ClH/c13-9(10-2-1-7-14-10)8-12-5-3-11-4-6-12;/h1-2,7,11H,3-6,8H2;1H
InChIKeyNQBWWFJPSFBRFR-UHFFFAOYSA-N
MW246.76 g/mol
LogP1.26
Rot. Bonds3

About 2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride

2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride (PubChem CID 43810618) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride
PubChem CID43810618
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCNCC1)c1cccs1
InChIInChI=1S/C10H14N2OS.ClH/c13-9(10-2-1-7-14-10)8-12-5-3-11-4-6-12;/h1-2,7,11H,3-6,8H2;1H
InChIKeyNQBWWFJPSFBRFR-UHFFFAOYSA-N
XLogP1.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride?
The IUPAC name of 2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride (CID 43810618) is 2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride.
What is the SMILES notation for 2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride?
The canonical SMILES for 2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride is Cl.O=C(CN1CCNCC1)c1cccs1.
What is the InChIKey of 2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride?
The InChIKey is NQBWWFJPSFBRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS.ClH/c13-9(10-2-1-7-14-10)8-12-5-3-11-4-6-12;/h1-2,7,11H,3-6,8H2;1H.
What are the key properties of 2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride?
2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride has a molecular weight of 246.76 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-thiophen-2-ylethanone;hydrochloride is sourced from PubChem (CID 43810618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).