1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride

C22H32Cl2N2OS — CID 68852989

IUPAC1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2ccc(-c3ccsc3)cc2)CCCCC1
InChIInChI=1S/C22H30N2OS.2ClH/c25-22(9-2-1-3-10-22)21(16-24-13-11-23-12-14-24)19-6-4-18(5-7-19)20-8-15-26-17-20;;/h4-8,15,17,21,23,25H,1-3,9-14,16H2;2*1H
InChIKeyGMLRHYKFFMDFBK-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.94
Rot. Bonds5

About 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride

1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 68852989) has the molecular formula C22H32Cl2N2OS and a molecular weight of 443.48 g/mol. Its IUPAC name is 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride
PubChem CID68852989
Molecular FormulaC22H32Cl2N2OS
Molecular Weight443.48 g/mol
Exact Mass442.16
IUPAC Name1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2ccc(-c3ccsc3)cc2)CCCCC1
InChIInChI=1S/C22H30N2OS.2ClH/c25-22(9-2-1-3-10-22)21(16-24-13-11-23-12-14-24)19-6-4-18(5-7-19)20-8-15-26-17-20;;/h4-8,15,17,21,23,25H,1-3,9-14,16H2;2*1H
InChIKeyGMLRHYKFFMDFBK-UHFFFAOYSA-N
XLogP4.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride?
The IUPAC name of 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride (CID 68852989) is 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride?
The canonical SMILES for 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride is Cl.Cl.OC1(C(CN2CCNCC2)c2ccc(-c3ccsc3)cc2)CCCCC1.
What is the InChIKey of 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride?
The InChIKey is GMLRHYKFFMDFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2OS.2ClH/c25-22(9-2-1-3-10-22)21(16-24-13-11-23-12-14-24)19-6-4-18(5-7-19)20-8-15-26-17-20;;/h4-8,15,17,21,23,25H,1-3,9-14,16H2;2*1H.
What are the key properties of 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride?
1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 443.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-piperazin-1-yl-1-(4-thiophen-3-ylphenyl)ethyl]cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 68852989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).