3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine

C15H19NO — CID 22495694

IUPAC3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine
SMILESCc1cc2cccc(C3CCNCC3C)c2o1
InChIInChI=1S/C15H19NO/c1-10-9-16-7-6-13(10)14-5-3-4-12-8-11(2)17-15(12)14/h3-5,8,10,13,16H,6-7,9H2,1-2H3
InChIKeyGGJPEVASUWMQKI-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.45
Rot. Bonds1

About 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine

3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine (PubChem CID 22495694) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine
PubChem CID22495694
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine
SMILESCc1cc2cccc(C3CCNCC3C)c2o1
InChIInChI=1S/C15H19NO/c1-10-9-16-7-6-13(10)14-5-3-4-12-8-11(2)17-15(12)14/h3-5,8,10,13,16H,6-7,9H2,1-2H3
InChIKeyGGJPEVASUWMQKI-UHFFFAOYSA-N
XLogP3.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine?
The IUPAC name of 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine (CID 22495694) is 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine.
What is the SMILES notation for 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine?
The canonical SMILES for 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine is Cc1cc2cccc(C3CCNCC3C)c2o1.
What is the InChIKey of 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine?
The InChIKey is GGJPEVASUWMQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-9-16-7-6-13(10)14-5-3-4-12-8-11(2)17-15(12)14/h3-5,8,10,13,16H,6-7,9H2,1-2H3.
What are the key properties of 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine?
3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine has a molecular weight of 229.32 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine is sourced from PubChem (CID 22495694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).