1-(1-benzofuran-3-yl)piperidine

C13H15NO — CID 57075665

IUPAC1-(1-benzofuran-3-yl)piperidine
SMILESc1ccc2c(N3CCCCC3)coc2c1
InChIInChI=1S/C13H15NO/c1-4-8-14(9-5-1)12-10-15-13-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyJCGQRZZZNZHRTE-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.42
Rot. Bonds1

About 1-(1-benzofuran-3-yl)piperidine

1-(1-benzofuran-3-yl)piperidine (PubChem CID 57075665) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)piperidine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)piperidine
PubChem CID57075665
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(1-benzofuran-3-yl)piperidine
SMILESc1ccc2c(N3CCCCC3)coc2c1
InChIInChI=1S/C13H15NO/c1-4-8-14(9-5-1)12-10-15-13-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyJCGQRZZZNZHRTE-UHFFFAOYSA-N
XLogP3.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)piperidine?
The IUPAC name of 1-(1-benzofuran-3-yl)piperidine (CID 57075665) is 1-(1-benzofuran-3-yl)piperidine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)piperidine?
The canonical SMILES for 1-(1-benzofuran-3-yl)piperidine is c1ccc2c(N3CCCCC3)coc2c1.
What is the InChIKey of 1-(1-benzofuran-3-yl)piperidine?
The InChIKey is JCGQRZZZNZHRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-8-14(9-5-1)12-10-15-13-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 1-(1-benzofuran-3-yl)piperidine?
1-(1-benzofuran-3-yl)piperidine has a molecular weight of 201.27 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)piperidine is sourced from PubChem (CID 57075665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).