1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol

C20H28N2O2S — CID 10570535

IUPAC1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1
InChIInChI=1S/C20H28N2O2S/c1-15-14-17(16(2)25-15)19(23)8-9-21-10-12-22(13-11-21)18-6-4-5-7-20(18)24-3/h4-7,14,19,23H,8-13H2,1-3H3
InChIKeyZXCPBBDQMAZIEL-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.62
Rot. Bonds6

About 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol

1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol (PubChem CID 10570535) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
PubChem CID10570535
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1
InChIInChI=1S/C20H28N2O2S/c1-15-14-17(16(2)25-15)19(23)8-9-21-10-12-22(13-11-21)18-6-4-5-7-20(18)24-3/h4-7,14,19,23H,8-13H2,1-3H3
InChIKeyZXCPBBDQMAZIEL-UHFFFAOYSA-N
XLogP3.62
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol (CID 10570535) is 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol is COc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol?
The InChIKey is ZXCPBBDQMAZIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-15-14-17(16(2)25-15)19(23)8-9-21-10-12-22(13-11-21)18-6-4-5-7-20(18)24-3/h4-7,14,19,23H,8-13H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol?
1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol has a molecular weight of 360.52 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 10570535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).