4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine

C14H15F2NO — CID 22495707

IUPAC4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine
SMILESCC1CNCCC1c1c(F)cc(F)c2ccoc12
InChIInChI=1S/C14H15F2NO/c1-8-7-17-4-2-9(8)13-12(16)6-11(15)10-3-5-18-14(10)13/h3,5-6,8-9,17H,2,4,7H2,1H3
InChIKeyHAEILNGYJAEYRJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.42
Rot. Bonds1

About 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine

4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine (PubChem CID 22495707) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine
PubChem CID22495707
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine
SMILESCC1CNCCC1c1c(F)cc(F)c2ccoc12
InChIInChI=1S/C14H15F2NO/c1-8-7-17-4-2-9(8)13-12(16)6-11(15)10-3-5-18-14(10)13/h3,5-6,8-9,17H,2,4,7H2,1H3
InChIKeyHAEILNGYJAEYRJ-UHFFFAOYSA-N
XLogP3.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine?
The IUPAC name of 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine (CID 22495707) is 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine.
What is the SMILES notation for 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine?
The canonical SMILES for 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine is CC1CNCCC1c1c(F)cc(F)c2ccoc12.
What is the InChIKey of 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine?
The InChIKey is HAEILNGYJAEYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-8-7-17-4-2-9(8)13-12(16)6-11(15)10-3-5-18-14(10)13/h3,5-6,8-9,17H,2,4,7H2,1H3.
What are the key properties of 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine?
4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine has a molecular weight of 251.28 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine is sourced from PubChem (CID 22495707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).