4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine

C14H16FNO — CID 71261709

IUPAC4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
SMILESFc1ccc2c(CC3CCNCC3)coc2c1
InChIInChI=1S/C14H16FNO/c15-12-1-2-13-11(9-17-14(13)8-12)7-10-3-5-16-6-4-10/h1-2,8-10,16H,3-7H2
InChIKeyDOZVNLGSDBNGNO-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.11
Rot. Bonds2

About 4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine

4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine (PubChem CID 71261709) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
PubChem CID71261709
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
SMILESFc1ccc2c(CC3CCNCC3)coc2c1
InChIInChI=1S/C14H16FNO/c15-12-1-2-13-11(9-17-14(13)8-12)7-10-3-5-16-6-4-10/h1-2,8-10,16H,3-7H2
InChIKeyDOZVNLGSDBNGNO-UHFFFAOYSA-N
XLogP3.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine?
The IUPAC name of 4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine (CID 71261709) is 4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine.
What is the SMILES notation for 4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine?
The canonical SMILES for 4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine is Fc1ccc2c(CC3CCNCC3)coc2c1.
What is the InChIKey of 4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine?
The InChIKey is DOZVNLGSDBNGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-12-1-2-13-11(9-17-14(13)8-12)7-10-3-5-16-6-4-10/h1-2,8-10,16H,3-7H2.
What are the key properties of 4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine?
4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine has a molecular weight of 233.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine is sourced from PubChem (CID 71261709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).