2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole

C26H23Cl3N2 — CID 11178875

IUPAC2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole
SMILESClc1ccc(-c2[nH]c3ccccc3c2CN2CCC(c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C26H23Cl3N2/c27-19-10-8-18(9-11-19)26-21(20-4-1-2-7-24(20)30-26)16-31-14-12-17(13-15-31)25-22(28)5-3-6-23(25)29/h1-11,17,30H,12-16H2
InChIKeyGZESEJPAHHWIFR-UHFFFAOYSA-N
MW469.84 g/mol
LogP8.17
Rot. Bonds4

About 2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole

2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole (PubChem CID 11178875) has the molecular formula C26H23Cl3N2 and a molecular weight of 469.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole
PubChem CID11178875
Molecular FormulaC26H23Cl3N2
Molecular Weight469.84 g/mol
Exact Mass468.09
IUPAC Name2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole
SMILESClc1ccc(-c2[nH]c3ccccc3c2CN2CCC(c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C26H23Cl3N2/c27-19-10-8-18(9-11-19)26-21(20-4-1-2-7-24(20)30-26)16-31-14-12-17(13-15-31)25-22(28)5-3-6-23(25)29/h1-11,17,30H,12-16H2
InChIKeyGZESEJPAHHWIFR-UHFFFAOYSA-N
XLogP8.17
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.84
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole 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-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole (CID 11178875) is 2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole is Clc1ccc(-c2[nH]c3ccccc3c2CN2CCC(c3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole?
The InChIKey is GZESEJPAHHWIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl3N2/c27-19-10-8-18(9-11-19)26-21(20-4-1-2-7-24(20)30-26)16-31-14-12-17(13-15-31)25-22(28)5-3-6-23(25)29/h1-11,17,30H,12-16H2.
What are the key properties of 2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole?
2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole has a molecular weight of 469.84 g/mol, XLogP of 8.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 11178875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).