2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine

C17H19NS — CID 70219894

IUPAC2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine
SMILESCC(=C1CCCCN1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C17H19NS/c1-13(16-5-2-3-11-18-16)14-7-9-15(10-8-14)17-6-4-12-19-17/h4,6-10,12,18H,2-3,5,11H2,1H3
InChIKeyCAMKRMGJDNDWNN-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.92
Rot. Bonds2

About 2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine

2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine (PubChem CID 70219894) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine.

Molecular Properties

Compound Name2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine
PubChem CID70219894
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine
SMILESCC(=C1CCCCN1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C17H19NS/c1-13(16-5-2-3-11-18-16)14-7-9-15(10-8-14)17-6-4-12-19-17/h4,6-10,12,18H,2-3,5,11H2,1H3
InChIKeyCAMKRMGJDNDWNN-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine?
The IUPAC name of 2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine (CID 70219894) is 2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine.
What is the SMILES notation for 2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine?
The canonical SMILES for 2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine is CC(=C1CCCCN1)c1ccc(-c2cccs2)cc1.
What is the InChIKey of 2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine?
The InChIKey is CAMKRMGJDNDWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-13(16-5-2-3-11-18-16)14-7-9-15(10-8-14)17-6-4-12-19-17/h4,6-10,12,18H,2-3,5,11H2,1H3.
What are the key properties of 2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine?
2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine has a molecular weight of 269.41 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-thiophen-2-ylphenyl)ethylidene]piperidine is sourced from PubChem (CID 70219894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).