N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine

C16H22N2O — CID 83009936

IUPACN-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCc1coc2ccccc12
InChIInChI=1S/C16H22N2O/c1-12-6-5-7-13(2)18(12)17-10-14-11-19-16-9-4-3-8-15(14)16/h3-4,8-9,11-13,17H,5-7,10H2,1-2H3
InChIKeyNNNDCYNDEHJCGU-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.70
Rot. Bonds3

About N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine

N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine (PubChem CID 83009936) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine
PubChem CID83009936
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCc1coc2ccccc12
InChIInChI=1S/C16H22N2O/c1-12-6-5-7-13(2)18(12)17-10-14-11-19-16-9-4-3-8-15(14)16/h3-4,8-9,11-13,17H,5-7,10H2,1-2H3
InChIKeyNNNDCYNDEHJCGU-UHFFFAOYSA-N
XLogP3.70
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutylmethyl)-1-benzofuran
CID 145054198
N-(1-benzofuran-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 80701565
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
CID 80701390
2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 80703135
N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
CID 80700753
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine
CID 103826314
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine (CID 83009936) is N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine is CC1CCCC(C)N1NCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine?
The InChIKey is NNNDCYNDEHJCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-6-5-7-13(2)18(12)17-10-14-11-19-16-9-4-3-8-15(14)16/h3-4,8-9,11-13,17H,5-7,10H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine?
N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83009936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).