2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol

C11H17NOS — CID 130855323

IUPAC2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol
SMILESCc1sccc1C1(O)CCCNC1C
InChIInChI=1S/C11H17NOS/c1-8-10(4-7-14-8)11(13)5-3-6-12-9(11)2/h4,7,9,12-13H,3,5-6H2,1-2H3
InChIKeyGRLPJEPLJPJLNN-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.02
Rot. Bonds1

About 2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol

2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol (PubChem CID 130855323) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol
PubChem CID130855323
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol
SMILESCc1sccc1C1(O)CCCNC1C
InChIInChI=1S/C11H17NOS/c1-8-10(4-7-14-8)11(13)5-3-6-12-9(11)2/h4,7,9,12-13H,3,5-6H2,1-2H3
InChIKeyGRLPJEPLJPJLNN-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol?
The IUPAC name of 2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol (CID 130855323) is 2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol.
What is the SMILES notation for 2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol?
The canonical SMILES for 2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol is Cc1sccc1C1(O)CCCNC1C.
What is the InChIKey of 2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol?
The InChIKey is GRLPJEPLJPJLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-10(4-7-14-8)11(13)5-3-6-12-9(11)2/h4,7,9,12-13H,3,5-6H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol?
2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol has a molecular weight of 211.33 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol is sourced from PubChem (CID 130855323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).