[1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine

C15H20N2O — CID 82385550

IUPAC[1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine
SMILESCc1coc2cccc(N3CCCC(CN)C3)c12
InChIInChI=1S/C15H20N2O/c1-11-10-18-14-6-2-5-13(15(11)14)17-7-3-4-12(8-16)9-17/h2,5-6,10,12H,3-4,7-9,16H2,1H3
InChIKeyXSUQTMQVKSIHBD-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.92
Rot. Bonds2

About [1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine

[1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine (PubChem CID 82385550) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine
PubChem CID82385550
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine
SMILESCc1coc2cccc(N3CCCC(CN)C3)c12
InChIInChI=1S/C15H20N2O/c1-11-10-18-14-6-2-5-13(15(11)14)17-7-3-4-12(8-16)9-17/h2,5-6,10,12H,3-4,7-9,16H2,1H3
InChIKeyXSUQTMQVKSIHBD-UHFFFAOYSA-N
XLogP2.92
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine?
The IUPAC name of [1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine (CID 82385550) is [1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine is Cc1coc2cccc(N3CCCC(CN)C3)c12.
What is the InChIKey of [1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine?
The InChIKey is XSUQTMQVKSIHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-10-18-14-6-2-5-13(15(11)14)17-7-3-4-12(8-16)9-17/h2,5-6,10,12H,3-4,7-9,16H2,1H3.
What are the key properties of [1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine?
[1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 82385550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).