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

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Related Compounds

ST-1936
CID 9921064
2-(4-Chlorophenyl)-1H-indole
CID 220463
2-Phenyl-3-piperidin-3-yl-1H-indole
CID 9795587
3-(1-Phenethyl-piperidin-4-yl)-2-phenyl-1H-indole
CID 10091189
2-Phenyl-3-(2-piperidin-1-yl-ethyl)-1H-indole
CID 9817960
3-(1-Phenethyl-piperidin-3-yl)-2-phenyl-1H-indole
CID 9821248
3-(1-methylpiperidin-4-yl)-2-phenyl-1H-indole
CID 9838958
3-(1-methylpiperidin-3-yl)-2-phenyl-1H-indole
CID 9838960
3-(1-Benzyl-piperidin-3-yl)-2-phenyl-1H-indole
CID 9842124
2-Phenyl-3-(4-piperidinyl)indole
CID 9882067
3-(1-Benzyl-piperidin-4-yl)-2-phenyl-1H-indole
CID 18354719
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409

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).