1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine

C30H34N2O3 — CID 71660808

IUPAC1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCOc1ccc2oc(-c3ccccc3OCc3ccccc3)cc2c1CN1CCC(N(C)C)CC1
InChIInChI=1S/C30H34N2O3/c1-31(2)23-15-17-32(18-16-23)20-26-25-19-30(35-29(25)14-13-27(26)33-3)24-11-7-8-12-28(24)34-21-22-9-5-4-6-10-22/h4-14,19,23H,15-18,20-21H2,1-3H3
InChIKeyCCWBIJAJSVTIMH-UHFFFAOYSA-N
MW470.61 g/mol
LogP6.21
Rot. Bonds8

About 1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine

1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 71660808) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID71660808
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCOc1ccc2oc(-c3ccccc3OCc3ccccc3)cc2c1CN1CCC(N(C)C)CC1
InChIInChI=1S/C30H34N2O3/c1-31(2)23-15-17-32(18-16-23)20-26-25-19-30(35-29(25)14-13-27(26)33-3)24-11-7-8-12-28(24)34-21-22-9-5-4-6-10-22/h4-14,19,23H,15-18,20-21H2,1-3H3
InChIKeyCCWBIJAJSVTIMH-UHFFFAOYSA-N
XLogP6.21
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine (CID 71660808) is 1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine is COc1ccc2oc(-c3ccccc3OCc3ccccc3)cc2c1CN1CCC(N(C)C)CC1.
What is the InChIKey of 1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is CCWBIJAJSVTIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-31(2)23-15-17-32(18-16-23)20-26-25-19-30(35-29(25)14-13-27(26)33-3)24-11-7-8-12-28(24)34-21-22-9-5-4-6-10-22/h4-14,19,23H,15-18,20-21H2,1-3H3.
What are the key properties of 1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine?
1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 470.61 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methoxy-2-(2-phenylmethoxyphenyl)-1-benzofuran-4-yl]methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 71660808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).