N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine

C16H22N2O — CID 62424895

IUPACN-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(CN2CCCCC2)oc2ccccc12
InChIInChI=1S/C16H22N2O/c1-17-11-14-13-7-3-4-8-15(13)19-16(14)12-18-9-5-2-6-10-18/h3-4,7-8,17H,2,5-6,9-12H2,1H3
InChIKeyNJUFRXCDOZQFGV-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.14
Rot. Bonds4

About N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine

N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine (PubChem CID 62424895) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
PubChem CID62424895
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
SMILESCNCc1c(CN2CCCCC2)oc2ccccc12
InChIInChI=1S/C16H22N2O/c1-17-11-14-13-7-3-4-8-15(13)19-16(14)12-18-9-5-2-6-10-18/h3-4,7-8,17H,2,5-6,9-12H2,1H3
InChIKeyNJUFRXCDOZQFGV-UHFFFAOYSA-N
XLogP3.14
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine (CID 62424895) is N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine is CNCc1c(CN2CCCCC2)oc2ccccc12.
What is the InChIKey of N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine?
The InChIKey is NJUFRXCDOZQFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-11-14-13-7-3-4-8-15(13)19-16(14)12-18-9-5-2-6-10-18/h3-4,7-8,17H,2,5-6,9-12H2,1H3.
What are the key properties of N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine?
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine has a molecular weight of 258.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 62424895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).