4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine

C13H12FNS — CID 22326936

IUPAC4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine
SMILESFc1ccc2scc(C3=CCNCC3)c2c1
InChIInChI=1S/C13H12FNS/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15H,4-6H2
InChIKeyDCBDMQHEZBAYQC-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.42
Rot. Bonds1

About 4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine

4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 22326936) has the molecular formula C13H12FNS and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine
PubChem CID22326936
Molecular FormulaC13H12FNS
Molecular Weight233.31 g/mol
Exact Mass233.07
IUPAC Name4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine
SMILESFc1ccc2scc(C3=CCNCC3)c2c1
InChIInChI=1S/C13H12FNS/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15H,4-6H2
InChIKeyDCBDMQHEZBAYQC-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzo(B)Thiophen-3-Ylmethylamine
CID 2776347
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine
CID 618552
{2-[3-(4-Fluoro-benzyl)-benzo[b]thiophen-2-yl]-ethyl}-dimethyl-amine
CID 11544156
Benzo[b]thiophene-3-ethanamine
CID 26743
AANAT Inhibitor, 8h
CID 57340189
N-(2-(5-fluorobenzo[b]thiophen-3-yl)ethyl)acetamide
CID 53231465
Cyclohexanamine, N-ethyl-1-[2-thionaphthenyl]-
CID 612323
3-Methyl-1,2,3,4-tetrahydro{1}benzothieno{3,2-c}pyridine
CID 193900
1-(Benzo[b]thiophen-2-yl)-N-methylmethanamine
CID 693141
1-(1-Benzothien-3-ylmethyl)piperidine
CID 832487
2-(5-fluoro-2-phenyl-1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 12412191
1-(Benzothiophen-2-yl)-3-azabicyclo[3.1.0]hexane
CID 25166638

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine (CID 22326936) is 4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine is Fc1ccc2scc(C3=CCNCC3)c2c1.
What is the InChIKey of 4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is DCBDMQHEZBAYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNS/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15H,4-6H2.
What are the key properties of 4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine?
4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 233.31 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-benzothiophen-3-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 22326936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).