5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole

C28H29ClN2 — CID 11453147

IUPAC5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole
SMILESCc1cccc(C)c1C1CCN(Cc2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C28H29ClN2/c1-19-7-6-8-20(2)27(19)21-13-15-31(16-14-21)18-25-24-17-23(29)11-12-26(24)30-28(25)22-9-4-3-5-10-22/h3-12,17,21,30H,13-16,18H2,1-2H3
InChIKeyLXSIAZSKQCJCLZ-UHFFFAOYSA-N
MW429.01 g/mol
LogP7.48
Rot. Bonds4

About 5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole

5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole (PubChem CID 11453147) has the molecular formula C28H29ClN2 and a molecular weight of 429.01 g/mol. Its IUPAC name is 5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole
PubChem CID11453147
Molecular FormulaC28H29ClN2
Molecular Weight429.01 g/mol
Exact Mass428.20
IUPAC Name5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole
SMILESCc1cccc(C)c1C1CCN(Cc2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C28H29ClN2/c1-19-7-6-8-20(2)27(19)21-13-15-31(16-14-21)18-25-24-17-23(29)11-12-26(24)30-28(25)22-9-4-3-5-10-22/h3-12,17,21,30H,13-16,18H2,1-2H3
InChIKeyLXSIAZSKQCJCLZ-UHFFFAOYSA-N
XLogP7.48
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.01
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-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 5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole?
The IUPAC name of 5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole (CID 11453147) is 5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole.
What is the SMILES notation for 5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole?
The canonical SMILES for 5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole is Cc1cccc(C)c1C1CCN(Cc2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole?
The InChIKey is LXSIAZSKQCJCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2/c1-19-7-6-8-20(2)27(19)21-13-15-31(16-14-21)18-25-24-17-23(29)11-12-26(24)30-28(25)22-9-4-3-5-10-22/h3-12,17,21,30H,13-16,18H2,1-2H3.
What are the key properties of 5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole?
5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole has a molecular weight of 429.01 g/mol, XLogP of 7.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole is sourced from PubChem (CID 11453147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).