1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine

C17H19FN4O — CID 75515142

IUPAC1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine
SMILESFc1ccc2oc(CN3CCC(Cn4ccnn4)CC3)cc2c1
InChIInChI=1S/C17H19FN4O/c18-15-1-2-17-14(9-15)10-16(23-17)12-21-6-3-13(4-7-21)11-22-8-5-19-20-22/h1-2,5,8-10,13H,3-4,6-7,11-12H2
InChIKeyOVNVXZBNDIKLKU-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.08
Rot. Bonds4

About 1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine

1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine (PubChem CID 75515142) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine
PubChem CID75515142
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine
SMILESFc1ccc2oc(CN3CCC(Cn4ccnn4)CC3)cc2c1
InChIInChI=1S/C17H19FN4O/c18-15-1-2-17-14(9-15)10-16(23-17)12-21-6-3-13(4-7-21)11-22-8-5-19-20-22/h1-2,5,8-10,13H,3-4,6-7,11-12H2
InChIKeyOVNVXZBNDIKLKU-UHFFFAOYSA-N
XLogP3.08
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine?
The IUPAC name of 1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine (CID 75515142) is 1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine is Fc1ccc2oc(CN3CCC(Cn4ccnn4)CC3)cc2c1.
What is the InChIKey of 1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine?
The InChIKey is OVNVXZBNDIKLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-15-1-2-17-14(9-15)10-16(23-17)12-21-6-3-13(4-7-21)11-22-8-5-19-20-22/h1-2,5,8-10,13H,3-4,6-7,11-12H2.
What are the key properties of 1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine?
1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine has a molecular weight of 314.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 75515142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).