4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine

C15H21NOS — CID 178102657

IUPAC4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine
SMILESCOc1ccc2c(c1)C(C)(C1CCNCC1)CS2
InChIInChI=1S/C15H21NOS/c1-15(11-5-7-16-8-6-11)10-18-14-4-3-12(17-2)9-13(14)15/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyWRAVIYDCJJRONY-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.06
Rot. Bonds2

About 4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine

4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine (PubChem CID 178102657) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine.

Molecular Properties

Compound Name4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine
PubChem CID178102657
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine
SMILESCOc1ccc2c(c1)C(C)(C1CCNCC1)CS2
InChIInChI=1S/C15H21NOS/c1-15(11-5-7-16-8-6-11)10-18-14-4-3-12(17-2)9-13(14)15/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyWRAVIYDCJJRONY-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-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 4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine?
The IUPAC name of 4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine (CID 178102657) is 4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine.
What is the SMILES notation for 4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine?
The canonical SMILES for 4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine is COc1ccc2c(c1)C(C)(C1CCNCC1)CS2.
What is the InChIKey of 4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine?
The InChIKey is WRAVIYDCJJRONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-15(11-5-7-16-8-6-11)10-18-14-4-3-12(17-2)9-13(14)15/h3-4,9,11,16H,5-8,10H2,1-2H3.
What are the key properties of 4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine?
4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine has a molecular weight of 263.41 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 4-(5-methoxy-3-methyl-2H-1-benzothiophen-3-yl)piperidine is sourced from PubChem (CID 178102657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).