4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine

C22H25NOS — CID 2813359

IUPAC4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine
SMILESCOc1ccccc1C1CCN(Cc2sc3ccccc3c2C)CC1
InChIInChI=1S/C22H25NOS/c1-16-18-7-4-6-10-21(18)25-22(16)15-23-13-11-17(12-14-23)19-8-3-5-9-20(19)24-2/h3-10,17H,11-15H2,1-2H3
InChIKeyXXFJGKOFLBSBRZ-UHFFFAOYSA-N
MW351.52 g/mol
LogP5.60
Rot. Bonds4

About 4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine

4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine (PubChem CID 2813359) has the molecular formula C22H25NOS and a molecular weight of 351.52 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine
PubChem CID2813359
Molecular FormulaC22H25NOS
Molecular Weight351.52 g/mol
Exact Mass351.17
IUPAC Name4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine
SMILESCOc1ccccc1C1CCN(Cc2sc3ccccc3c2C)CC1
InChIInChI=1S/C22H25NOS/c1-16-18-7-4-6-10-21(18)25-22(16)15-23-13-11-17(12-14-23)19-8-3-5-9-20(19)24-2/h3-10,17H,11-15H2,1-2H3
InChIKeyXXFJGKOFLBSBRZ-UHFFFAOYSA-N
XLogP5.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.52
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]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-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine (CID 2813359) is 4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine is COc1ccccc1C1CCN(Cc2sc3ccccc3c2C)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine?
The InChIKey is XXFJGKOFLBSBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NOS/c1-16-18-7-4-6-10-21(18)25-22(16)15-23-13-11-17(12-14-23)19-8-3-5-9-20(19)24-2/h3-10,17H,11-15H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine?
4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine has a molecular weight of 351.52 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 2813359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).