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

C21H22Cl2N2 — CID 69433637

IUPAC2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole
SMILESCc1c(CN2CCC(c3c(Cl)cccc3Cl)CC2)[nH]c2ccccc12
InChIInChI=1S/C21H22Cl2N2/c1-14-16-5-2-3-8-19(16)24-20(14)13-25-11-9-15(10-12-25)21-17(22)6-4-7-18(21)23/h2-8,15,24H,9-13H2,1H3
InChIKeyVPTPBHQBNOSCHE-UHFFFAOYSA-N
MW373.33 g/mol
LogP6.16
Rot. Bonds3

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

2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole (PubChem CID 69433637) has the molecular formula C21H22Cl2N2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole.

Molecular Properties

Compound Name2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole
PubChem CID69433637
Molecular FormulaC21H22Cl2N2
Molecular Weight373.33 g/mol
Exact Mass372.12
IUPAC Name2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole
SMILESCc1c(CN2CCC(c3c(Cl)cccc3Cl)CC2)[nH]c2ccccc12
InChIInChI=1S/C21H22Cl2N2/c1-14-16-5-2-3-8-19(16)24-20(14)13-25-11-9-15(10-12-25)21-17(22)6-4-7-18(21)23/h2-8,15,24H,9-13H2,1H3
InChIKeyVPTPBHQBNOSCHE-UHFFFAOYSA-N
XLogP6.16
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.33
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-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

Related Compounds

2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole
CID 11178875
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole
CID 11305129
[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857188
[4-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-phenylmethanone
CID 69075099
7-azabicyclo[2.2.1]heptan-7-yl-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indol-2-yl]methanone
CID 69076323
3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indole-2-carbaldehyde
CID 140542086
2-[[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 31048886
4-(4-fluorophenyl)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-ol
CID 46967077
(3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42392111
5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole
CID 11453147
(5S,6S)-9-[(3-methyl-1H-indol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol
CID 155984645
3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole
CID 11430193

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole?
The IUPAC name of 2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole (CID 69433637) is 2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole.
What is the SMILES notation for 2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole?
The canonical SMILES for 2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole is Cc1c(CN2CCC(c3c(Cl)cccc3Cl)CC2)[nH]c2ccccc12.
What is the InChIKey of 2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole?
The InChIKey is VPTPBHQBNOSCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2/c1-14-16-5-2-3-8-19(16)24-20(14)13-25-11-9-15(10-12-25)21-17(22)6-4-7-18(21)23/h2-8,15,24H,9-13H2,1H3.
What are the key properties of 2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole?
2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole has a molecular weight of 373.33 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole is sourced from PubChem (CID 69433637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).