2-(4-thiophen-2-ylpiperidin-3-yl)ethanol

C11H17NOS — CID 57065411

IUPAC2-(4-thiophen-2-ylpiperidin-3-yl)ethanol
SMILESOCCC1CNCCC1c1cccs1
InChIInChI=1S/C11H17NOS/c13-6-4-9-8-12-5-3-10(9)11-2-1-7-14-11/h1-2,7,9-10,12-13H,3-6,8H2
InChIKeyXCSRFIXYKXVJMA-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.82
Rot. Bonds3

About 2-(4-thiophen-2-ylpiperidin-3-yl)ethanol

2-(4-thiophen-2-ylpiperidin-3-yl)ethanol (PubChem CID 57065411) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(4-thiophen-2-ylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-thiophen-2-ylpiperidin-3-yl)ethanol
PubChem CID57065411
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(4-thiophen-2-ylpiperidin-3-yl)ethanol
SMILESOCCC1CNCCC1c1cccs1
InChIInChI=1S/C11H17NOS/c13-6-4-9-8-12-5-3-10(9)11-2-1-7-14-11/h1-2,7,9-10,12-13H,3-6,8H2
InChIKeyXCSRFIXYKXVJMA-UHFFFAOYSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-2-ylpiperidin-3-yl)ethanol?
The IUPAC name of 2-(4-thiophen-2-ylpiperidin-3-yl)ethanol (CID 57065411) is 2-(4-thiophen-2-ylpiperidin-3-yl)ethanol.
What is the SMILES notation for 2-(4-thiophen-2-ylpiperidin-3-yl)ethanol?
The canonical SMILES for 2-(4-thiophen-2-ylpiperidin-3-yl)ethanol is OCCC1CNCCC1c1cccs1.
What is the InChIKey of 2-(4-thiophen-2-ylpiperidin-3-yl)ethanol?
The InChIKey is XCSRFIXYKXVJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c13-6-4-9-8-12-5-3-10(9)11-2-1-7-14-11/h1-2,7,9-10,12-13H,3-6,8H2.
What are the key properties of 2-(4-thiophen-2-ylpiperidin-3-yl)ethanol?
2-(4-thiophen-2-ylpiperidin-3-yl)ethanol has a molecular weight of 211.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-2-ylpiperidin-3-yl)ethanol is sourced from PubChem (CID 57065411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).