4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine

C15H18BrNO3 — CID 18784869

IUPAC4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine
SMILESCOc1ccc(Br)c2cc(COC3CCNCC3)oc12
InChIInChI=1S/C15H18BrNO3/c1-18-14-3-2-13(16)12-8-11(20-15(12)14)9-19-10-4-6-17-7-5-10/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyRDQUZRNOOCXACF-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.47
Rot. Bonds4

About 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine

4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine (PubChem CID 18784869) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine.

Molecular Properties

Compound Name4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine
PubChem CID18784869
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine
SMILESCOc1ccc(Br)c2cc(COC3CCNCC3)oc12
InChIInChI=1S/C15H18BrNO3/c1-18-14-3-2-13(16)12-8-11(20-15(12)14)9-19-10-4-6-17-7-5-10/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyRDQUZRNOOCXACF-UHFFFAOYSA-N
XLogP3.47
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine?
The IUPAC name of 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine (CID 18784869) is 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine.
What is the SMILES notation for 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine?
The canonical SMILES for 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine is COc1ccc(Br)c2cc(COC3CCNCC3)oc12.
What is the InChIKey of 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine?
The InChIKey is RDQUZRNOOCXACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-18-14-3-2-13(16)12-8-11(20-15(12)14)9-19-10-4-6-17-7-5-10/h2-3,8,10,17H,4-7,9H2,1H3.
What are the key properties of 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine?
4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine has a molecular weight of 340.22 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]piperidine is sourced from PubChem (CID 18784869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).