4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol

C21H29N3OS — CID 15045433

IUPAC4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol
SMILESOC1(c2cccs2)CCC(CCN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C21H29N3OS/c25-21(19-4-3-17-26-19)9-6-18(7-10-21)8-12-23-13-15-24(16-14-23)20-5-1-2-11-22-20/h1-5,11,17-18,25H,6-10,12-16H2
InChIKeyUOOTXBLLUJDFPP-UHFFFAOYSA-N
MW371.55 g/mol
LogP3.73
Rot. Bonds5

About 4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol

4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol (PubChem CID 15045433) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is 4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol
PubChem CID15045433
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol
SMILESOC1(c2cccs2)CCC(CCN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C21H29N3OS/c25-21(19-4-3-17-26-19)9-6-18(7-10-21)8-12-23-13-15-24(16-14-23)20-5-1-2-11-22-20/h1-5,11,17-18,25H,6-10,12-16H2
InChIKeyUOOTXBLLUJDFPP-UHFFFAOYSA-N
XLogP3.73
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol?
The IUPAC name of 4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol (CID 15045433) is 4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol is OC1(c2cccs2)CCC(CCN2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol?
The InChIKey is UOOTXBLLUJDFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c25-21(19-4-3-17-26-19)9-6-18(7-10-21)8-12-23-13-15-24(16-14-23)20-5-1-2-11-22-20/h1-5,11,17-18,25H,6-10,12-16H2.
What are the key properties of 4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol?
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol has a molecular weight of 371.55 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 15045433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).