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

C17H27ClN2OS — CID 11484667

IUPAC1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol
SMILESNC1CCN(CC(c2csc(Cl)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C17H27ClN2OS/c18-16-10-13(12-22-16)15(17(21)6-2-1-3-7-17)11-20-8-4-14(19)5-9-20/h10,12,14-15,21H,1-9,11,19H2
InChIKeyVQLFVTXUDZOIJR-UHFFFAOYSA-N
MW342.94 g/mol
LogP3.60
Rot. Bonds4

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

1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol (PubChem CID 11484667) has the molecular formula C17H27ClN2OS and a molecular weight of 342.94 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol
PubChem CID11484667
Molecular FormulaC17H27ClN2OS
Molecular Weight342.94 g/mol
Exact Mass342.15
IUPAC Name1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol
SMILESNC1CCN(CC(c2csc(Cl)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C17H27ClN2OS/c18-16-10-13(12-22-16)15(17(21)6-2-1-3-7-17)11-20-8-4-14(19)5-9-20/h10,12,14-15,21H,1-9,11,19H2
InChIKeyVQLFVTXUDZOIJR-UHFFFAOYSA-N
XLogP3.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol 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-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol (CID 11484667) is 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol is NC1CCN(CC(c2csc(Cl)c2)C2(O)CCCCC2)CC1.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol?
The InChIKey is VQLFVTXUDZOIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2OS/c18-16-10-13(12-22-16)15(17(21)6-2-1-3-7-17)11-20-8-4-14(19)5-9-20/h10,12,14-15,21H,1-9,11,19H2.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol?
1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol has a molecular weight of 342.94 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 11484667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).