1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride

C11H17ClN2OS — CID 71639491

IUPAC1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
SMILESCC1CNCCN1C(=O)Cc1ccsc1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-9-7-12-3-4-13(9)11(14)6-10-2-5-15-8-10;/h2,5,8-9,12H,3-4,6-7H2,1H3;1H
InChIKeyHLUVWOWYLJBSDY-UHFFFAOYSA-N
MW260.79 g/mol
LogP1.53
Rot. Bonds2

About 1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride

1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride (PubChem CID 71639491) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
PubChem CID71639491
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
SMILESCC1CNCCN1C(=O)Cc1ccsc1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-9-7-12-3-4-13(9)11(14)6-10-2-5-15-8-10;/h2,5,8-9,12H,3-4,6-7H2,1H3;1H
InChIKeyHLUVWOWYLJBSDY-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 125022040
2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119473269
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 120739461
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 125026813
2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid
CID 106742061
1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 115273030
(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 82755314
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705101
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119471680
1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
CID 66202821
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 81427853
1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-thiophen-3-ylethanone
CID 66212657

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride?
The IUPAC name of 1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride (CID 71639491) is 1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride.
What is the SMILES notation for 1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride?
The canonical SMILES for 1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride is CC1CNCCN1C(=O)Cc1ccsc1.Cl.
What is the InChIKey of 1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride?
The InChIKey is HLUVWOWYLJBSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c1-9-7-12-3-4-13(9)11(14)6-10-2-5-15-8-10;/h2,5,8-9,12H,3-4,6-7H2,1H3;1H.
What are the key properties of 1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride?
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride is sourced from PubChem (CID 71639491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).