1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride

C13H23ClN2OS — CID 173113652

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride
SMILESCC1=CSCN1CC(=O)N1C(C)CCCC1C.Cl
InChIInChI=1S/C13H22N2OS.ClH/c1-10-5-4-6-11(2)15(10)13(16)7-14-9-17-8-12(14)3;/h8,10-11H,4-7,9H2,1-3H3;1H
InChIKeyWSSNRUQQYXCQNL-UHFFFAOYSA-N
MW290.86 g/mol
LogP3.07
Rot. Bonds2

About 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride

1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride (PubChem CID 173113652) has the molecular formula C13H23ClN2OS and a molecular weight of 290.86 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride
PubChem CID173113652
Molecular FormulaC13H23ClN2OS
Molecular Weight290.86 g/mol
Exact Mass290.12
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride
SMILESCC1=CSCN1CC(=O)N1C(C)CCCC1C.Cl
InChIInChI=1S/C13H22N2OS.ClH/c1-10-5-4-6-11(2)15(10)13(16)7-14-9-17-8-12(14)3;/h8,10-11H,4-7,9H2,1-3H3;1H
InChIKeyWSSNRUQQYXCQNL-UHFFFAOYSA-N
XLogP3.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.86
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride (CID 173113652) is 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride is CC1=CSCN1CC(=O)N1C(C)CCCC1C.Cl.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride?
The InChIKey is WSSNRUQQYXCQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS.ClH/c1-10-5-4-6-11(2)15(10)13(16)7-14-9-17-8-12(14)3;/h8,10-11H,4-7,9H2,1-3H3;1H.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride?
1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride has a molecular weight of 290.86 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 173113652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).