6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine

C17H19NS — CID 54155016

IUPAC6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine
SMILESCC(C1=NCCCC1)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/h4,6-10,12-13H,2-3,5,11H2,1H3
InChIKeyOKKRLEWSBCFQDK-UHFFFAOYSA-N
MW269.41 g/mol
LogP5.14
Rot. Bonds3

About 6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine

6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine (PubChem CID 54155016) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine
PubChem CID54155016
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine
SMILESCC(C1=NCCCC1)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/h4,6-10,12-13H,2-3,5,11H2,1H3
InChIKeyOKKRLEWSBCFQDK-UHFFFAOYSA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(Trifluoromethyl)phenyl]-6,7-dihydrothieno[3,2-c]pyridine
CID 2739385
1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine
CID 13484483
4-(4-Fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine
CID 42773974
4-(3-Fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine
CID 46167952
7-[2-[4-(Trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine
CID 59820001
2-Methyl-4-[2-(4-trifluoromethyl-phenyl)-ethyl]-6,7-dihydro-thieno[3,2-c]pyridine
CID 59820012
4-Thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-2,3,5a,9a-tetrahydro-1,5-benzothiazepine
CID 148100226
5-Fluoro-1-(2-methylthiophen-3-yl)-3,4-dihydroisoquinoline
CID 168869357
1-Thiophen-2-yl-3,4-dihydroisoquinoline
CID 10680102
(3aR,5S)-5-phenyl-2-(phenylsulfanylmethyl)-3,3a,4,5,6,7-hexahydro-2H-indole
CID 15359818
5-(3-methylsulfanylthiophen-2-yl)-2-phenyl-3,4-dihydro-2H-pyrrole
CID 132538663
N-benzyl-4-isocyano-1-thiophen-2-ylbutan-1-imine
CID 135072825

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine (CID 54155016) is 6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine is CC(C1=NCCCC1)c1ccc(-c2cccs2)cc1.
What is the InChIKey of 6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine?
The InChIKey is OKKRLEWSBCFQDK-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/h4,6-10,12-13H,2-3,5,11H2,1H3.
What are the key properties of 6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine?
6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine has a molecular weight of 269.41 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-thiophen-2-ylphenyl)ethyl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 54155016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).