4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine

C15H18FNO — CID 22495543

IUPAC4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine
SMILESCC1(C)CNCCC1c1cc(F)cc2ccoc12
InChIInChI=1S/C15H18FNO/c1-15(2)9-17-5-3-13(15)12-8-11(16)7-10-4-6-18-14(10)12/h4,6-8,13,17H,3,5,9H2,1-2H3
InChIKeyABAQOTFQJBROBS-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.67
Rot. Bonds1

About 4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine

4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine (PubChem CID 22495543) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine.

Molecular Properties

Compound Name4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine
PubChem CID22495543
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine
SMILESCC1(C)CNCCC1c1cc(F)cc2ccoc12
InChIInChI=1S/C15H18FNO/c1-15(2)9-17-5-3-13(15)12-8-11(16)7-10-4-6-18-14(10)12/h4,6-8,13,17H,3,5,9H2,1-2H3
InChIKeyABAQOTFQJBROBS-UHFFFAOYSA-N
XLogP3.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine?
The IUPAC name of 4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine (CID 22495543) is 4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine.
What is the SMILES notation for 4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine?
The canonical SMILES for 4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine is CC1(C)CNCCC1c1cc(F)cc2ccoc12.
What is the InChIKey of 4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine?
The InChIKey is ABAQOTFQJBROBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-15(2)9-17-5-3-13(15)12-8-11(16)7-10-4-6-18-14(10)12/h4,6-8,13,17H,3,5,9H2,1-2H3.
What are the key properties of 4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine?
4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine has a molecular weight of 247.31 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine is sourced from PubChem (CID 22495543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).