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

C16H20BrNO3 — CID 18784858

IUPAC4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]-1-methylpiperidine
SMILESCOc1ccc(Br)c2cc(COC3CCN(C)CC3)oc12
InChIInChI=1S/C16H20BrNO3/c1-18-7-5-11(6-8-18)20-10-12-9-13-14(17)3-4-15(19-2)16(13)21-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyHFARFCPHZGNMNM-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.81
Rot. Bonds4

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

4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]-1-methylpiperidine (PubChem CID 18784858) has the molecular formula C16H20BrNO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]-1-methylpiperidine
PubChem CID18784858
Molecular FormulaC16H20BrNO3
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]-1-methylpiperidine
SMILESCOc1ccc(Br)c2cc(COC3CCN(C)CC3)oc12
InChIInChI=1S/C16H20BrNO3/c1-18-7-5-11(6-8-18)20-10-12-9-13-14(17)3-4-15(19-2)16(13)21-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyHFARFCPHZGNMNM-UHFFFAOYSA-N
XLogP3.81
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.81
H-Bond Donors ≤ 50
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]-1-methylpiperidine?
The IUPAC name of 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]-1-methylpiperidine (CID 18784858) is 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]-1-methylpiperidine.
What is the SMILES notation for 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]-1-methylpiperidine?
The canonical SMILES for 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]-1-methylpiperidine is COc1ccc(Br)c2cc(COC3CCN(C)CC3)oc12.
What is the InChIKey of 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]-1-methylpiperidine?
The InChIKey is HFARFCPHZGNMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO3/c1-18-7-5-11(6-8-18)20-10-12-9-13-14(17)3-4-15(19-2)16(13)21-12/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]-1-methylpiperidine?
4-[(4-bromo-7-methoxy-1-benzofuran-2-yl)methoxy]-1-methylpiperidine has a molecular weight of 354.24 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 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]-1-methylpiperidine is sourced from PubChem (CID 18784858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).