1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride

C16H27Cl3N2OS — CID 68852563

IUPAC1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2csc(Cl)c2)CCCCC1
InChIInChI=1S/C16H25ClN2OS.2ClH/c17-15-10-13(12-21-15)14(11-19-8-6-18-7-9-19)16(20)4-2-1-3-5-16;;/h10,12,14,18,20H,1-9,11H2;2*1H
InChIKeyHMLLTURJXARMIO-UHFFFAOYSA-N
MW401.83 g/mol
LogP3.93
Rot. Bonds4

About 1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride

1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 68852563) has the molecular formula C16H27Cl3N2OS and a molecular weight of 401.83 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
PubChem CID68852563
Molecular FormulaC16H27Cl3N2OS
Molecular Weight401.83 g/mol
Exact Mass400.09
IUPAC Name1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2csc(Cl)c2)CCCCC1
InChIInChI=1S/C16H25ClN2OS.2ClH/c17-15-10-13(12-21-15)14(11-19-8-6-18-7-9-19)16(20)4-2-1-3-5-16;;/h10,12,14,18,20H,1-9,11H2;2*1H
InChIKeyHMLLTURJXARMIO-UHFFFAOYSA-N
XLogP3.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]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-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The IUPAC name of 1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride (CID 68852563) is 1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The canonical SMILES for 1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride is Cl.Cl.OC1(C(CN2CCNCC2)c2csc(Cl)c2)CCCCC1.
What is the InChIKey of 1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
The InChIKey is HMLLTURJXARMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2OS.2ClH/c17-15-10-13(12-21-15)14(11-19-8-6-18-7-9-19)16(20)4-2-1-3-5-16;;/h10,12,14,18,20H,1-9,11H2;2*1H.
What are the key properties of 1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride?
1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 401.83 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-3-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 68852563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).