1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine

C20H21NO — CID 22626810

IUPAC1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine
SMILESCN1CCC(c2coc3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C20H21NO/c1-21-11-9-16(10-12-21)19-14-22-20-8-7-17(13-18(19)20)15-5-3-2-4-6-15/h2-8,13-14,16H,9-12H2,1H3
InChIKeyICVZDQLRHAUTGY-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.91
Rot. Bonds2

About 1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine

1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine (PubChem CID 22626810) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine
PubChem CID22626810
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine
SMILESCN1CCC(c2coc3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C20H21NO/c1-21-11-9-16(10-12-21)19-14-22-20-8-7-17(13-18(19)20)15-5-3-2-4-6-15/h2-8,13-14,16H,9-12H2,1H3
InChIKeyICVZDQLRHAUTGY-UHFFFAOYSA-N
XLogP4.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine?
The IUPAC name of 1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine (CID 22626810) is 1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine?
The canonical SMILES for 1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine is CN1CCC(c2coc3ccc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine?
The InChIKey is ICVZDQLRHAUTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-21-11-9-16(10-12-21)19-14-22-20-8-7-17(13-18(19)20)15-5-3-2-4-6-15/h2-8,13-14,16H,9-12H2,1H3.
What are the key properties of 1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine?
1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine has a molecular weight of 291.39 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-phenyl-1-benzofuran-3-yl)piperidine is sourced from PubChem (CID 22626810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).