[1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine

C15H20N2O — CID 82385547

IUPAC[1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine
SMILESCc1coc2cccc(N3CCCCC3CN)c12
InChIInChI=1S/C15H20N2O/c1-11-10-18-14-7-4-6-13(15(11)14)17-8-3-2-5-12(17)9-16/h4,6-7,10,12H,2-3,5,8-9,16H2,1H3
InChIKeyDWBBKGQLARCYRT-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.06
Rot. Bonds2

About [1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine

[1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine (PubChem CID 82385547) 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-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine
PubChem CID82385547
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine
SMILESCc1coc2cccc(N3CCCCC3CN)c12
InChIInChI=1S/C15H20N2O/c1-11-10-18-14-7-4-6-13(15(11)14)17-8-3-2-5-12(17)9-16/h4,6-7,10,12H,2-3,5,8-9,16H2,1H3
InChIKeyDWBBKGQLARCYRT-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-methyl-1-benzofuran-4-yl)piperidin-3-yl]methanamine
CID 82385550
[1-(1-methylindol-7-yl)piperidin-2-yl]methanamine
CID 82386099
[1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine
CID 168988327
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
[(2S)-1-(2-fluorophenyl)pyrrolidin-2-yl]methanamine
CID 130691324
2-[2-(aminomethyl)azepan-1-yl]-N,N-dimethylbenzenesulfonamide
CID 116640203
[1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine
CID 82386767
2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide
CID 113284612
[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-2-yl]methanamine
CID 65168676
[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 62592985
[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine
CID 116640310
(E)-3-(3-methyl-1-benzofuran-4-yl)prop-2-en-1-amine
CID 117280803

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine (CID 82385547) is [1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine is Cc1coc2cccc(N3CCCCC3CN)c12.
What is the InChIKey of [1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine?
The InChIKey is DWBBKGQLARCYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-10-18-14-7-4-6-13(15(11)14)17-8-3-2-5-12(17)9-16/h4,6-7,10,12H,2-3,5,8-9,16H2,1H3.
What are the key properties of [1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine?
[1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 3.06, 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-2-yl]methanamine is sourced from PubChem (CID 82385547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).