2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline

C24H28N2OS — CID 70366571

IUPAC2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline
SMILESNc1ccccc1C1(COCc2cccs2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H28N2OS/c25-23-11-5-4-10-22(23)24(19-27-18-21-9-6-16-28-21)12-14-26(15-13-24)17-20-7-2-1-3-8-20/h1-11,16H,12-15,17-19,25H2
InChIKeyFMCXETITSHHJID-UHFFFAOYSA-N
MW392.57 g/mol
LogP5.08
Rot. Bonds7

About 2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline

2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline (PubChem CID 70366571) has the molecular formula C24H28N2OS and a molecular weight of 392.57 g/mol. Its IUPAC name is 2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline.

Molecular Properties

Compound Name2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline
PubChem CID70366571
Molecular FormulaC24H28N2OS
Molecular Weight392.57 g/mol
Exact Mass392.19
IUPAC Name2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline
SMILESNc1ccccc1C1(COCc2cccs2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H28N2OS/c25-23-11-5-4-10-22(23)24(19-27-18-21-9-6-16-28-21)12-14-26(15-13-24)17-20-7-2-1-3-8-20/h1-11,16H,12-15,17-19,25H2
InChIKeyFMCXETITSHHJID-UHFFFAOYSA-N
XLogP5.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline 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 2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline?
The IUPAC name of 2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline (CID 70366571) is 2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline.
What is the SMILES notation for 2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline?
The canonical SMILES for 2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline is Nc1ccccc1C1(COCc2cccs2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline?
The InChIKey is FMCXETITSHHJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2OS/c25-23-11-5-4-10-22(23)24(19-27-18-21-9-6-16-28-21)12-14-26(15-13-24)17-20-7-2-1-3-8-20/h1-11,16H,12-15,17-19,25H2.
What are the key properties of 2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline?
2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline has a molecular weight of 392.57 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-4-(thiophen-2-ylmethoxymethyl)piperidin-4-yl]aniline is sourced from PubChem (CID 70366571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).