3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine

C15H17F2NO — CID 114736046

IUPAC3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine
SMILESCC(F)(c1cc2cc(F)ccc2o1)C1CCCNC1
InChIInChI=1S/C15H17F2NO/c1-15(17,11-3-2-6-18-9-11)14-8-10-7-12(16)4-5-13(10)19-14/h4-5,7-8,11,18H,2-3,6,9H2,1H3
InChIKeyNGWRTROMITXGKG-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.76
Rot. Bonds2

About 3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine

3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine (PubChem CID 114736046) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine
PubChem CID114736046
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine
SMILESCC(F)(c1cc2cc(F)ccc2o1)C1CCCNC1
InChIInChI=1S/C15H17F2NO/c1-15(17,11-3-2-6-18-9-11)14-8-10-7-12(16)4-5-13(10)19-14/h4-5,7-8,11,18H,2-3,6,9H2,1H3
InChIKeyNGWRTROMITXGKG-UHFFFAOYSA-N
XLogP3.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine
CID 114736041
1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol
CID 114723249
3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
CID 112564951
3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 105411746
3-[1-(2-chloro-5-fluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 102622006
3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921
3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine
CID 112564899
3-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114735490
N-(2,5-difluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198550
2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735425
3-(1-fluoro-1-piperidin-3-ylethyl)quinoline
CID 112564864
3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine
CID 114523641

Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine?
The IUPAC name of 3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine (CID 114736046) is 3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine.
What is the SMILES notation for 3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine?
The canonical SMILES for 3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine is CC(F)(c1cc2cc(F)ccc2o1)C1CCCNC1.
What is the InChIKey of 3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine?
The InChIKey is NGWRTROMITXGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-15(17,11-3-2-6-18-9-11)14-8-10-7-12(16)4-5-13(10)19-14/h4-5,7-8,11,18H,2-3,6,9H2,1H3.
What are the key properties of 3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine?
3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine has a molecular weight of 265.30 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-1-(5-fluoro-1-benzofuran-2-yl)ethyl]piperidine is sourced from PubChem (CID 114736046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).