N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine

C16H24N2O — CID 115708414

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCC1Cc2ccccc2O1
InChIInChI=1S/C16H24N2O/c1-12-11-18(2)8-7-15(12)17-10-14-9-13-5-3-4-6-16(13)19-14/h3-6,12,14-15,17H,7-11H2,1-2H3
InChIKeyKUYVUSAHRUWGIZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.92
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine (PubChem CID 115708414) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
PubChem CID115708414
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCC1Cc2ccccc2O1
InChIInChI=1S/C16H24N2O/c1-12-11-18(2)8-7-15(12)17-10-14-9-13-5-3-4-6-16(13)19-14/h3-6,12,14-15,17H,7-11H2,1-2H3
InChIKeyKUYVUSAHRUWGIZ-UHFFFAOYSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine (CID 115708414) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine is CC1CN(C)CCC1NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine?
The InChIKey is KUYVUSAHRUWGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-11-18(2)8-7-15(12)17-10-14-9-13-5-3-4-6-16(13)19-14/h3-6,12,14-15,17H,7-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115708414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).