1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride

C17H29Cl3N2OS — CID 68855417

IUPAC1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
SMILESCN1CCN(C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C17H27ClN2OS.2ClH/c1-19-7-9-20(10-8-19)12-15(14-11-16(18)22-13-14)17(21)5-3-2-4-6-17;;/h11,13,15,21H,2-10,12H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyWMNVFAHWMICIJX-CKUXDGONSA-N
MW415.86 g/mol
LogP4.27
Rot. Bonds4

About 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride

1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 68855417) has the molecular formula C17H29Cl3N2OS and a molecular weight of 415.86 g/mol. Its IUPAC name is 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
PubChem CID68855417
Molecular FormulaC17H29Cl3N2OS
Molecular Weight415.86 g/mol
Exact Mass414.11
IUPAC Name1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
SMILESCN1CCN(C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C17H27ClN2OS.2ClH/c1-19-7-9-20(10-8-19)12-15(14-11-16(18)22-13-14)17(21)5-3-2-4-6-17;;/h11,13,15,21H,2-10,12H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyWMNVFAHWMICIJX-CKUXDGONSA-N
XLogP4.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride with MolForge

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Related Compounds

1-[1-(5-Chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 11198677
1-(1-(5-Chlorothiophen-3-yl)-2-(piperazin-1-yl)ethyl)cyclohexanol
CID 11278895
(+)-S-1-(1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl)cyclohexanol
CID 11302314
1-(1-(2,5-Dichlorothiophen-3-yl)-2-(piperazin-1-yl)ethyl)cyclohexanol
CID 11325961
1-(1-(2-Chlorothiophen-3-yl)-2-(piperazin-1-yl)ethyl)cyclohexanol
CID 11450294
(-)-R-1-(1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl)cyclohexanol
CID 11210071
1-[1-(5-Chlorothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11324941
1-[2-(4-Aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol
CID 11484667
Tert-butyl 4-[2-(2,5-dichlorothiophen-3-yl)-2-(1-hydroxycyclohexyl)ethyl]piperazine-1-carboxylate
CID 68851928
1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothien-3-yl)ethyl]cyclohexanol Dihydrochloride
CID 68852224
1-[1-(5-chlorothien-3-yl)-2-piperazin-1-ylethyl]cyclohexanol Dihydrochloride
CID 68852563
1-[(1S)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 68852792

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride (CID 68855417) is 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride is CN1CCN(C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
The InChIKey is WMNVFAHWMICIJX-CKUXDGONSA-N. The full InChI is InChI=1S/C17H27ClN2OS.2ClH/c1-19-7-9-20(10-8-19)12-15(14-11-16(18)22-13-14)17(21)5-3-2-4-6-17;;/h11,13,15,21H,2-10,12H2,1H3;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 415.86 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 68855417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).