2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine

C18H26N2O — CID 114729557

IUPAC2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine
SMILESCc1cccc2cc(C(N)C(C)(C)N3CCCCC3)oc12
InChIInChI=1S/C18H26N2O/c1-13-8-7-9-14-12-15(21-16(13)14)17(19)18(2,3)20-10-5-4-6-11-20/h7-9,12,17H,4-6,10-11,19H2,1-3H3
InChIKeyDRRQQNDKWBHOBR-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.01
Rot. Bonds3

About 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine

2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine (PubChem CID 114729557) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine
PubChem CID114729557
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine
SMILESCc1cccc2cc(C(N)C(C)(C)N3CCCCC3)oc12
InChIInChI=1S/C18H26N2O/c1-13-8-7-9-14-12-15(21-16(13)14)17(19)18(2,3)20-10-5-4-6-11-20/h7-9,12,17H,4-6,10-11,19H2,1-3H3
InChIKeyDRRQQNDKWBHOBR-UHFFFAOYSA-N
XLogP4.01
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine (CID 114729557) is 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine is Cc1cccc2cc(C(N)C(C)(C)N3CCCCC3)oc12.
What is the InChIKey of 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine?
The InChIKey is DRRQQNDKWBHOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-8-7-9-14-12-15(21-16(13)14)17(19)18(2,3)20-10-5-4-6-11-20/h7-9,12,17H,4-6,10-11,19H2,1-3H3.
What are the key properties of 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine?
2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 114729557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).