4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine

C15H18FNO — CID 10377302

IUPAC4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine
SMILESCCc1oc2cc(F)ccc2c1C1CCNCC1
InChIInChI=1S/C15H18FNO/c1-2-13-15(10-5-7-17-8-6-10)12-4-3-11(16)9-14(12)18-13/h3-4,9-10,17H,2,5-8H2,1H3
InChIKeyRMMHKTKBBNZTHW-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.60
Rot. Bonds2

About 4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine

4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine (PubChem CID 10377302) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine.

Molecular Properties

Compound Name4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine
PubChem CID10377302
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine
SMILESCCc1oc2cc(F)ccc2c1C1CCNCC1
InChIInChI=1S/C15H18FNO/c1-2-13-15(10-5-7-17-8-6-10)12-4-3-11(16)9-14(12)18-13/h3-4,9-10,17H,2,5-8H2,1H3
InChIKeyRMMHKTKBBNZTHW-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine?
The IUPAC name of 4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine (CID 10377302) is 4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine.
What is the SMILES notation for 4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine?
The canonical SMILES for 4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine is CCc1oc2cc(F)ccc2c1C1CCNCC1.
What is the InChIKey of 4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine?
The InChIKey is RMMHKTKBBNZTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-2-13-15(10-5-7-17-8-6-10)12-4-3-11(16)9-14(12)18-13/h3-4,9-10,17H,2,5-8H2,1H3.
What are the key properties of 4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine?
4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine has a molecular weight of 247.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-6-fluoro-1-benzofuran-3-yl)piperidine is sourced from PubChem (CID 10377302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).