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

C25H23Cl2N3 — CID 11305129

IUPAC3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole
SMILESClc1cccc(Cl)c1C1CCN(Cc2c(-c3ccccn3)[nH]c3ccccc23)CC1
InChIInChI=1S/C25H23Cl2N3/c26-20-7-5-8-21(27)24(20)17-11-14-30(15-12-17)16-19-18-6-1-2-9-22(18)29-25(19)23-10-3-4-13-28-23/h1-10,13,17,29H,11-12,14-16H2
InChIKeyZUXTUBUTJWRMEF-UHFFFAOYSA-N
MW436.39 g/mol
LogP6.92
Rot. Bonds4

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

3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole (PubChem CID 11305129) has the molecular formula C25H23Cl2N3 and a molecular weight of 436.39 g/mol. Its IUPAC name is 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole.

Molecular Properties

Compound Name3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole
PubChem CID11305129
Molecular FormulaC25H23Cl2N3
Molecular Weight436.39 g/mol
Exact Mass435.13
IUPAC Name3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole
SMILESClc1cccc(Cl)c1C1CCN(Cc2c(-c3ccccn3)[nH]c3ccccc23)CC1
InChIInChI=1S/C25H23Cl2N3/c26-20-7-5-8-21(27)24(20)17-11-14-30(15-12-17)16-19-18-6-1-2-9-22(18)29-25(19)23-10-3-4-13-28-23/h1-10,13,17,29H,11-12,14-16H2
InChIKeyZUXTUBUTJWRMEF-UHFFFAOYSA-N
XLogP6.92
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.39
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole?
The IUPAC name of 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole (CID 11305129) is 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole.
What is the SMILES notation for 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole?
The canonical SMILES for 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole is Clc1cccc(Cl)c1C1CCN(Cc2c(-c3ccccn3)[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole?
The InChIKey is ZUXTUBUTJWRMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3/c26-20-7-5-8-21(27)24(20)17-11-14-30(15-12-17)16-19-18-6-1-2-9-22(18)29-25(19)23-10-3-4-13-28-23/h1-10,13,17,29H,11-12,14-16H2.
What are the key properties of 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole?
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole has a molecular weight of 436.39 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-pyridin-2-yl-1H-indole is sourced from PubChem (CID 11305129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).