N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine

C15H20N2O — CID 115209916

IUPACN-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine
SMILESCN(CC1CCNCC1)c1coc2ccccc12
InChIInChI=1S/C15H20N2O/c1-17(10-12-6-8-16-9-7-12)14-11-18-15-5-3-2-4-13(14)15/h2-5,11-12,16H,6-10H2,1H3
InChIKeyIYFZDEFQVUVKPB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.87
Rot. Bonds3

About N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine

N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine (PubChem CID 115209916) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine
PubChem CID115209916
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine
SMILESCN(CC1CCNCC1)c1coc2ccccc12
InChIInChI=1S/C15H20N2O/c1-17(10-12-6-8-16-9-7-12)14-11-18-15-5-3-2-4-13(14)15/h2-5,11-12,16H,6-10H2,1H3
InChIKeyIYFZDEFQVUVKPB-UHFFFAOYSA-N
XLogP2.87
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine
CID 115118778
N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 80702786
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine
CID 115256590
2-[1-benzofuran-3-yl(methyl)amino]acetonitrile
CID 115130924
4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 115149803
2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252002
5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one
CID 115236413
3-fluoro-4-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
CID 79719509
1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
CID 115207722
N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199967
2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209874

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine (CID 115209916) is N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine is CN(CC1CCNCC1)c1coc2ccccc12.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine?
The InChIKey is IYFZDEFQVUVKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17(10-12-6-8-16-9-7-12)14-11-18-15-5-3-2-4-13(14)15/h2-5,11-12,16H,6-10H2,1H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine?
N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine has a molecular weight of 244.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine is sourced from PubChem (CID 115209916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).