2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol

C13H21NOS — CID 13438341

IUPAC2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol
SMILESCC1(C)CC(O)(c2ccsc2)CC(C)(C)N1
InChIInChI=1S/C13H21NOS/c1-11(2)8-13(15,9-12(3,4)14-11)10-5-6-16-7-10/h5-7,14-15H,8-9H2,1-4H3
InChIKeyOCGRMKZWQVXUOI-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.88
Rot. Bonds1

About 2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol

2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol (PubChem CID 13438341) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol
PubChem CID13438341
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol
SMILESCC1(C)CC(O)(c2ccsc2)CC(C)(C)N1
InChIInChI=1S/C13H21NOS/c1-11(2)8-13(15,9-12(3,4)14-11)10-5-6-16-7-10/h5-7,14-15H,8-9H2,1-4H3
InChIKeyOCGRMKZWQVXUOI-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol?
The IUPAC name of 2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol (CID 13438341) is 2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol?
The canonical SMILES for 2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol is CC1(C)CC(O)(c2ccsc2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol?
The InChIKey is OCGRMKZWQVXUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-11(2)8-13(15,9-12(3,4)14-11)10-5-6-16-7-10/h5-7,14-15H,8-9H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol?
2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol has a molecular weight of 239.38 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-thiophen-3-ylpiperidin-4-ol is sourced from PubChem (CID 13438341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).