4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine

C14H16FNS — CID 18797402

IUPAC4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine
SMILESCN1CCC(c2csc3ccc(F)cc23)CC1
InChIInChI=1S/C14H16FNS/c1-16-6-4-10(5-7-16)13-9-17-14-3-2-11(15)8-12(13)14/h2-3,8-10H,4-7H2,1H3
InChIKeyUWSSKEIZMMMEGK-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.85
Rot. Bonds1

About 4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine

4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine (PubChem CID 18797402) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine
PubChem CID18797402
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine
SMILESCN1CCC(c2csc3ccc(F)cc23)CC1
InChIInChI=1S/C14H16FNS/c1-16-6-4-10(5-7-16)13-9-17-14-3-2-11(15)8-12(13)14/h2-3,8-10H,4-7H2,1H3
InChIKeyUWSSKEIZMMMEGK-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine?
The IUPAC name of 4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine (CID 18797402) is 4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine?
The canonical SMILES for 4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine is CN1CCC(c2csc3ccc(F)cc23)CC1.
What is the InChIKey of 4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine?
The InChIKey is UWSSKEIZMMMEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-16-6-4-10(5-7-16)13-9-17-14-3-2-11(15)8-12(13)14/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine?
4-(5-fluoro-1-benzothiophen-3-yl)-1-methylpiperidine has a molecular weight of 249.35 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 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-methylpiperidine is sourced from PubChem (CID 18797402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).