3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride

C12H20Cl2N2OS — CID 12739150

IUPAC3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride
SMILESCN1CCN(CCC(=O)c2cccs2)CC1.Cl.Cl
InChIInChI=1S/C12H18N2OS.2ClH/c1-13-6-8-14(9-7-13)5-4-11(15)12-3-2-10-16-12;;/h2-3,10H,4-9H2,1H3;2*1H
InChIKeyKJAFCNUCVSRDRT-UHFFFAOYSA-N
MW311.28 g/mol
LogP2.41
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride

3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride (PubChem CID 12739150) has the molecular formula C12H20Cl2N2OS and a molecular weight of 311.28 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride
PubChem CID12739150
Molecular FormulaC12H20Cl2N2OS
Molecular Weight311.28 g/mol
Exact Mass310.07
IUPAC Name3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride
SMILESCN1CCN(CCC(=O)c2cccs2)CC1.Cl.Cl
InChIInChI=1S/C12H18N2OS.2ClH/c1-13-6-8-14(9-7-13)5-4-11(15)12-3-2-10-16-12;;/h2-3,10H,4-9H2,1H3;2*1H
InChIKeyKJAFCNUCVSRDRT-UHFFFAOYSA-N
XLogP2.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride (CID 12739150) is 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride is CN1CCN(CCC(=O)c2cccs2)CC1.Cl.Cl.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride?
The InChIKey is KJAFCNUCVSRDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS.2ClH/c1-13-6-8-14(9-7-13)5-4-11(15)12-3-2-10-16-12;;/h2-3,10H,4-9H2,1H3;2*1H.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride?
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride has a molecular weight of 311.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 12739150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).