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

C16H24N2O — CID 64509514

IUPAC1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
SMILESCC1(C)Cc2cccc(CN3CCC(N)CC3)c2O1
InChIInChI=1S/C16H24N2O/c1-16(2)10-12-4-3-5-13(15(12)19-16)11-18-8-6-14(17)7-9-18/h3-5,14H,6-11,17H2,1-2H3
InChIKeyNJZDENDFUUEZFE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.32
Rot. Bonds2

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

1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine (PubChem CID 64509514) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
PubChem CID64509514
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
SMILESCC1(C)Cc2cccc(CN3CCC(N)CC3)c2O1
InChIInChI=1S/C16H24N2O/c1-16(2)10-12-4-3-5-13(15(12)19-16)11-18-8-6-14(17)7-9-18/h3-5,14H,6-11,17H2,1-2H3
InChIKeyNJZDENDFUUEZFE-UHFFFAOYSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.32
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]piperidin-4-amine?
The IUPAC name of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine (CID 64509514) is 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine is CC1(C)Cc2cccc(CN3CCC(N)CC3)c2O1.
What is the InChIKey of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine?
The InChIKey is NJZDENDFUUEZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)10-12-4-3-5-13(15(12)19-16)11-18-8-6-14(17)7-9-18/h3-5,14H,6-11,17H2,1-2H3.
What are the key properties of 1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine?
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.32, 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]piperidin-4-amine is sourced from PubChem (CID 64509514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).