1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine

C14H16FNS — CID 117172774

IUPAC1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine
SMILESFc1cccc2sc(CN3CCCCC3)cc12
InChIInChI=1S/C14H16FNS/c15-13-5-4-6-14-12(13)9-11(17-14)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2
InChIKeyNDUHMSHHPKIPJW-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.03
Rot. Bonds2

About 1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine

1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine (PubChem CID 117172774) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine
PubChem CID117172774
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine
SMILESFc1cccc2sc(CN3CCCCC3)cc12
InChIInChI=1S/C14H16FNS/c15-13-5-4-6-14-12(13)9-11(17-14)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2
InChIKeyNDUHMSHHPKIPJW-UHFFFAOYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 117120043
2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid
CID 117172959
1-[(6-chloro-1-benzothiophen-2-yl)methyl]pyrrolidine
CID 117179741
1-[(7-fluoro-1-benzofuran-3-yl)methyl]azepane
CID 117180993
1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine
CID 117176321
1-[(7-methyl-1-benzothiophen-2-yl)methyl]azepane
CID 117186431
1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol
CID 117120021
(4-fluoro-1-benzothiophen-2-yl)methyl-propan-2-yloxyphosphinous acid
CID 71160070
[3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 62425059
3-(azepan-1-ylmethyl)-7-fluoro-1H-indole
CID 117181792
1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine
CID 70699630
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine?
The IUPAC name of 1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine (CID 117172774) is 1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine?
The canonical SMILES for 1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine is Fc1cccc2sc(CN3CCCCC3)cc12.
What is the InChIKey of 1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine?
The InChIKey is NDUHMSHHPKIPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c15-13-5-4-6-14-12(13)9-11(17-14)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2.
What are the key properties of 1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine?
1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine has a molecular weight of 249.35 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 117172774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).