1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine

C17H26N2O — CID 79879219

IUPAC1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2cccc3c2OC(C)(C)C3)CCC1N
InChIInChI=1S/C17H26N2O/c1-12-10-19(8-7-15(12)18)11-14-6-4-5-13-9-17(2,3)20-16(13)14/h4-6,12,15H,7-11,18H2,1-3H3
InChIKeyYAXRAMHYUHYRPR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.57
Rot. Bonds2

About 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine

1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine (PubChem CID 79879219) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine
PubChem CID79879219
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine
SMILESCC1CN(Cc2cccc3c2OC(C)(C)C3)CCC1N
InChIInChI=1S/C17H26N2O/c1-12-10-19(8-7-15(12)18)11-14-6-4-5-13-9-17(2,3)20-16(13)14/h4-6,12,15H,7-11,18H2,1-3H3
InChIKeyYAXRAMHYUHYRPR-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine (CID 79879219) is 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine is CC1CN(Cc2cccc3c2OC(C)(C)C3)CCC1N.
What is the InChIKey of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is YAXRAMHYUHYRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-10-19(8-7-15(12)18)11-14-6-4-5-13-9-17(2,3)20-16(13)14/h4-6,12,15H,7-11,18H2,1-3H3.
What are the key properties of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine?
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 79879219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).