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

C17H29Cl3N2OS — CID 68852224

IUPAC1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.NC1CCN(CC(c2csc(Cl)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C17H27ClN2OS.2ClH/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;2*1H
InChIKeyIUZBQSNNSLGLAR-UHFFFAOYSA-N
MW415.86 g/mol
LogP4.45
Rot. Bonds4

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

1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol;dihydrochloride (PubChem CID 68852224) has the molecular formula C17H29Cl3N2OS and a molecular weight of 415.86 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol;dihydrochloride
PubChem CID68852224
Molecular FormulaC17H29Cl3N2OS
Molecular Weight415.86 g/mol
Exact Mass414.11
IUPAC Name1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol;dihydrochloride
SMILESCl.Cl.NC1CCN(CC(c2csc(Cl)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C17H27ClN2OS.2ClH/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;2*1H
InChIKeyIUZBQSNNSLGLAR-UHFFFAOYSA-N
XLogP4.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol;dihydrochloride (CID 68852224) is 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol;dihydrochloride.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol;dihydrochloride is Cl.Cl.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;dihydrochloride?
The InChIKey is IUZBQSNNSLGLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2OS.2ClH/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;2*1H.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol;dihydrochloride?
1-[2-(4-aminopiperidin-1-yl)-1-(5-chlorothiophen-3-yl)ethyl]cyclohexan-1-ol;dihydrochloride has a molecular weight of 415.86 g/mol, XLogP of 4.45, 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;dihydrochloride is sourced from PubChem (CID 68852224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).