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

C17H27ClN2OS — CID 11210071

IUPAC1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
SMILESCN1CCN(C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C17H27ClN2OS/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/t15-/m0/s1
InChIKeyKHYNNQYNYMSTIB-HNNXBMFYSA-N
MW342.94 g/mol
LogP3.43
Rot. Bonds4

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

1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol (PubChem CID 11210071) has the molecular formula C17H27ClN2OS and a molecular weight of 342.94 g/mol. Its IUPAC name is 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
PubChem CID11210071
Molecular FormulaC17H27ClN2OS
Molecular Weight342.94 g/mol
Exact Mass342.15
IUPAC Name1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
SMILESCN1CCN(C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C17H27ClN2OS/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/t15-/m0/s1
InChIKeyKHYNNQYNYMSTIB-HNNXBMFYSA-N
XLogP3.43
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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?
The IUPAC name of 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol (CID 11210071) is 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol is CN1CCN(C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1.
What is the InChIKey of 1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
The InChIKey is KHYNNQYNYMSTIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27ClN2OS/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/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?
1-[(1R)-1-(5-chlorothiophen-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol has a molecular weight of 342.94 g/mol, XLogP of 3.43, 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 is sourced from PubChem (CID 11210071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).