3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine

C15H18FNO — CID 114736041

IUPAC3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine
SMILESCC(F)(c1cc2ccccc2o1)C1CCCNC1
InChIInChI=1S/C15H18FNO/c1-15(16,12-6-4-8-17-10-12)14-9-11-5-2-3-7-13(11)18-14/h2-3,5,7,9,12,17H,4,6,8,10H2,1H3
InChIKeyGTNXIICKNGSIOE-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.62
Rot. Bonds2

About 3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine

3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine (PubChem CID 114736041) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine
PubChem CID114736041
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine
SMILESCC(F)(c1cc2ccccc2o1)C1CCCNC1
InChIInChI=1S/C15H18FNO/c1-15(16,12-6-4-8-17-10-12)14-9-11-5-2-3-7-13(11)18-14/h2-3,5,7,9,12,17H,4,6,8,10H2,1H3
InChIKeyGTNXIICKNGSIOE-UHFFFAOYSA-N
XLogP3.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine
CID 114736046
1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol
CID 114723249
3-(1-fluoro-1-piperidin-3-ylethyl)quinoline
CID 112564864
3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
CID 112564951
3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921
3-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853692
3-[difluoro(naphthalen-2-yl)methyl]piperidine
CID 116838927
3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine
CID 114523641
3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine
CID 114747708
3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine
CID 112564829
3-[difluoro-(2-methylphenyl)methyl]piperidine
CID 84725689
3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine
CID 104663559

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine?
The IUPAC name of 3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine (CID 114736041) is 3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine?
The canonical SMILES for 3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine is CC(F)(c1cc2ccccc2o1)C1CCCNC1.
What is the InChIKey of 3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine?
The InChIKey is GTNXIICKNGSIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-15(16,12-6-4-8-17-10-12)14-9-11-5-2-3-7-13(11)18-14/h2-3,5,7,9,12,17H,4,6,8,10H2,1H3.
What are the key properties of 3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine?
3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine has a molecular weight of 247.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 114736041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).