3-(1-benzofuran-7-ylmethyl)piperidine

C14H17NO — CID 84784098

IUPAC3-(1-benzofuran-7-ylmethyl)piperidine
SMILESc1cc(CC2CCCNC2)c2occc2c1
InChIInChI=1S/C14H17NO/c1-4-12-6-8-16-14(12)13(5-1)9-11-3-2-7-15-10-11/h1,4-6,8,11,15H,2-3,7,9-10H2
InChIKeyGPXIHTRIVNXBFR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.97
Rot. Bonds2

About 3-(1-benzofuran-7-ylmethyl)piperidine

3-(1-benzofuran-7-ylmethyl)piperidine (PubChem CID 84784098) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(1-benzofuran-7-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(1-benzofuran-7-ylmethyl)piperidine
PubChem CID84784098
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(1-benzofuran-7-ylmethyl)piperidine
SMILESc1cc(CC2CCCNC2)c2occc2c1
InChIInChI=1S/C14H17NO/c1-4-12-6-8-16-14(12)13(5-1)9-11-3-2-7-15-10-11/h1,4-6,8,11,15H,2-3,7,9-10H2
InChIKeyGPXIHTRIVNXBFR-UHFFFAOYSA-N
XLogP2.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-7-ylmethyl)piperidine?
The IUPAC name of 3-(1-benzofuran-7-ylmethyl)piperidine (CID 84784098) is 3-(1-benzofuran-7-ylmethyl)piperidine.
What is the SMILES notation for 3-(1-benzofuran-7-ylmethyl)piperidine?
The canonical SMILES for 3-(1-benzofuran-7-ylmethyl)piperidine is c1cc(CC2CCCNC2)c2occc2c1.
What is the InChIKey of 3-(1-benzofuran-7-ylmethyl)piperidine?
The InChIKey is GPXIHTRIVNXBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-12-6-8-16-14(12)13(5-1)9-11-3-2-7-15-10-11/h1,4-6,8,11,15H,2-3,7,9-10H2.
What are the key properties of 3-(1-benzofuran-7-ylmethyl)piperidine?
3-(1-benzofuran-7-ylmethyl)piperidine has a molecular weight of 215.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-7-ylmethyl)piperidine is sourced from PubChem (CID 84784098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).