2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol

C12H20N2OS — CID 115414917

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
SMILESCN1CCN(C)C(CC(O)c2ccsc2)C1
InChIInChI=1S/C12H20N2OS/c1-13-4-5-14(2)11(8-13)7-12(15)10-3-6-16-9-10/h3,6,9,11-12,15H,4-5,7-8H2,1-2H3
InChIKeyCXBUJRDMUIDOMG-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.42
Rot. Bonds3

About 2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol

2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol (PubChem CID 115414917) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
PubChem CID115414917
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
SMILESCN1CCN(C)C(CC(O)c2ccsc2)C1
InChIInChI=1S/C12H20N2OS/c1-13-4-5-14(2)11(8-13)7-12(15)10-3-6-16-9-10/h3,6,9,11-12,15H,4-5,7-8H2,1-2H3
InChIKeyCXBUJRDMUIDOMG-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414925
(1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine
CID 79659584
1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol
CID 79659396
2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 115414890
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propylpyrazol-3-yl)ethanol
CID 115414903
2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol
CID 104738104
1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 113305466
1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414967
1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol
CID 115414970
2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol
CID 106436295
1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol
CID 115414788
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
CID 115414893

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol (CID 115414917) is 2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol is CN1CCN(C)C(CC(O)c2ccsc2)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol?
The InChIKey is CXBUJRDMUIDOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-13-4-5-14(2)11(8-13)7-12(15)10-3-6-16-9-10/h3,6,9,11-12,15H,4-5,7-8H2,1-2H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol?
2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol has a molecular weight of 240.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol is sourced from PubChem (CID 115414917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).