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

C12H20N2OS — CID 79659396

IUPAC1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol
SMILESCN1CCN(C)C(C(O)Cc2ccsc2)C1
InChIInChI=1S/C12H20N2OS/c1-13-4-5-14(2)11(8-13)12(15)7-10-3-6-16-9-10/h3,6,9,11-12,15H,4-5,7-8H2,1-2H3
InChIKeyPAYFJVTYLMOULB-UHFFFAOYSA-N
MW240.37 g/mol
LogP0.90
Rot. Bonds3

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

1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol (PubChem CID 79659396) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol
PubChem CID79659396
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol
SMILESCN1CCN(C)C(C(O)Cc2ccsc2)C1
InChIInChI=1S/C12H20N2OS/c1-13-4-5-14(2)11(8-13)12(15)7-10-3-6-16-9-10/h3,6,9,11-12,15H,4-5,7-8H2,1-2H3
InChIKeyPAYFJVTYLMOULB-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 79663724
2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658979
(1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine
CID 79659584
2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
CID 115414917
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008349
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79659153
4-methoxy-1-thiophen-3-ylbutan-2-ol
CID 62606552
1-(1,4-dimethylpiperazin-2-yl)decan-1-ol
CID 79658821
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanol
CID 103345099
1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine
CID 79658342
1-(thiolan-3-yl)-2-thiophen-3-ylethanol
CID 105089532
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol (CID 79659396) is 1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol is CN1CCN(C)C(C(O)Cc2ccsc2)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol?
The InChIKey is PAYFJVTYLMOULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-13-4-5-14(2)11(8-13)12(15)7-10-3-6-16-9-10/h3,6,9,11-12,15H,4-5,7-8H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol?
1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol has a molecular weight of 240.37 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 79659396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).