5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole

C19H18Cl2N2 — CID 163847569

IUPAC5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole
SMILESClc1cc2cc(N3CCC(c4ccccc4)CC3)[nH]c2cc1Cl
InChIInChI=1S/C19H18Cl2N2/c20-16-10-15-11-19(22-18(15)12-17(16)21)23-8-6-14(7-9-23)13-4-2-1-3-5-13/h1-5,10-12,14,22H,6-9H2
InChIKeyORMNRGQTUKJDRG-UHFFFAOYSA-N
MW345.27 g/mol
LogP5.86
Rot. Bonds2

About 5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole

5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole (PubChem CID 163847569) has the molecular formula C19H18Cl2N2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole.

Molecular Properties

Compound Name5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole
PubChem CID163847569
Molecular FormulaC19H18Cl2N2
Molecular Weight345.27 g/mol
Exact Mass344.08
IUPAC Name5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole
SMILESClc1cc2cc(N3CCC(c4ccccc4)CC3)[nH]c2cc1Cl
InChIInChI=1S/C19H18Cl2N2/c20-16-10-15-11-19(22-18(15)12-17(16)21)23-8-6-14(7-9-23)13-4-2-1-3-5-13/h1-5,10-12,14,22H,6-9H2
InChIKeyORMNRGQTUKJDRG-UHFFFAOYSA-N
XLogP5.86
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.27
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,6-dichloro-2-(4-phenylpiperidin-1-yl)-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 5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole?
The IUPAC name of 5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole (CID 163847569) is 5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole.
What is the SMILES notation for 5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole?
The canonical SMILES for 5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole is Clc1cc2cc(N3CCC(c4ccccc4)CC3)[nH]c2cc1Cl.
What is the InChIKey of 5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole?
The InChIKey is ORMNRGQTUKJDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2/c20-16-10-15-11-19(22-18(15)12-17(16)21)23-8-6-14(7-9-23)13-4-2-1-3-5-13/h1-5,10-12,14,22H,6-9H2.
What are the key properties of 5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole?
5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole has a molecular weight of 345.27 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole is sourced from PubChem (CID 163847569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).