3-ethyl-4-thiophen-2-ylpiperidine

C11H17NS — CID 79320840

IUPAC3-ethyl-4-thiophen-2-ylpiperidine
SMILESCCC1CNCCC1c1cccs1
InChIInChI=1S/C11H17NS/c1-2-9-8-12-6-5-10(9)11-4-3-7-13-11/h3-4,7,9-10,12H,2,5-6,8H2,1H3
InChIKeyPIJGQCLRADFNTP-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.85
Rot. Bonds2

About 3-ethyl-4-thiophen-2-ylpiperidine

3-ethyl-4-thiophen-2-ylpiperidine (PubChem CID 79320840) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-ethyl-4-thiophen-2-ylpiperidine.

Molecular Properties

Compound Name3-ethyl-4-thiophen-2-ylpiperidine
PubChem CID79320840
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-ethyl-4-thiophen-2-ylpiperidine
SMILESCCC1CNCCC1c1cccs1
InChIInChI=1S/C11H17NS/c1-2-9-8-12-6-5-10(9)11-4-3-7-13-11/h3-4,7,9-10,12H,2,5-6,8H2,1H3
InChIKeyPIJGQCLRADFNTP-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-thiophen-2-ylpiperidine?
The IUPAC name of 3-ethyl-4-thiophen-2-ylpiperidine (CID 79320840) is 3-ethyl-4-thiophen-2-ylpiperidine.
What is the SMILES notation for 3-ethyl-4-thiophen-2-ylpiperidine?
The canonical SMILES for 3-ethyl-4-thiophen-2-ylpiperidine is CCC1CNCCC1c1cccs1.
What is the InChIKey of 3-ethyl-4-thiophen-2-ylpiperidine?
The InChIKey is PIJGQCLRADFNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-2-9-8-12-6-5-10(9)11-4-3-7-13-11/h3-4,7,9-10,12H,2,5-6,8H2,1H3.
What are the key properties of 3-ethyl-4-thiophen-2-ylpiperidine?
3-ethyl-4-thiophen-2-ylpiperidine has a molecular weight of 195.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-thiophen-2-ylpiperidine is sourced from PubChem (CID 79320840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).