ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate

C16H18FNO3 — CID 57173709

IUPACethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2occ3cc(F)ccc23)CC1
InChIInChI=1S/C16H18FNO3/c1-2-20-16(19)18-7-5-11(6-8-18)15-14-4-3-13(17)9-12(14)10-21-15/h3-4,9-11H,2,5-8H2,1H3
InChIKeyZTJSQQASRXMGAV-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.91
Rot. Bonds2

About ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate

ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate (PubChem CID 57173709) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate
PubChem CID57173709
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Nameethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2occ3cc(F)ccc23)CC1
InChIInChI=1S/C16H18FNO3/c1-2-20-16(19)18-7-5-11(6-8-18)15-14-4-3-13(17)9-12(14)10-21-15/h3-4,9-11H,2,5-8H2,1H3
InChIKeyZTJSQQASRXMGAV-UHFFFAOYSA-N
XLogP3.91
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(5,7-dimethyl-2-benzofuran-1-yl)piperidine-1-carboxylate
CID 57005479
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CID 69411834
ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate
CID 79768815
ethyl 4-[6-fluoro-1-(2-thiophen-3-ylethyl)indol-3-yl]piperidine-1-carboxylate
CID 69412395
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ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate
CID 54207843
ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate
CID 134124384
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
ethyl 3-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]pyrrolidine-1-carboxylate
CID 90261133

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate (CID 57173709) is ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(c2occ3cc(F)ccc23)CC1.
What is the InChIKey of ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate?
The InChIKey is ZTJSQQASRXMGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-2-20-16(19)18-7-5-11(6-8-18)15-14-4-3-13(17)9-12(14)10-21-15/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate?
ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate has a molecular weight of 291.32 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 57173709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).