5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol

C15H23NOS — CID 58951214

IUPAC5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol
SMILESCN1CCC(C2(O)c3ccsc3CC2(C)C)CC1
InChIInChI=1S/C15H23NOS/c1-14(2)10-13-12(6-9-18-13)15(14,17)11-4-7-16(3)8-5-11/h6,9,11,17H,4-5,7-8,10H2,1-3H3
InChIKeyRYOPQKBZBXKVDY-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.86
Rot. Bonds1

About 5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol

5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol (PubChem CID 58951214) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol.

Molecular Properties

Compound Name5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol
PubChem CID58951214
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol
SMILESCN1CCC(C2(O)c3ccsc3CC2(C)C)CC1
InChIInChI=1S/C15H23NOS/c1-14(2)10-13-12(6-9-18-13)15(14,17)11-4-7-16(3)8-5-11/h6,9,11,17H,4-5,7-8,10H2,1-3H3
InChIKeyRYOPQKBZBXKVDY-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol?
The IUPAC name of 5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol (CID 58951214) is 5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol.
What is the SMILES notation for 5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol?
The canonical SMILES for 5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol is CN1CCC(C2(O)c3ccsc3CC2(C)C)CC1.
What is the InChIKey of 5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol?
The InChIKey is RYOPQKBZBXKVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-14(2)10-13-12(6-9-18-13)15(14,17)11-4-7-16(3)8-5-11/h6,9,11,17H,4-5,7-8,10H2,1-3H3.
What are the key properties of 5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol?
5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol has a molecular weight of 265.42 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(1-methylpiperidin-4-yl)-6H-cyclopenta[b]thiophen-4-ol is sourced from PubChem (CID 58951214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).