4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole

C22H24Cl2FN3O — CID 10224982

IUPAC4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole
SMILESFc1cc(Cl)c(OCCCCN2CCN(c3cccc4[nH]ccc34)CC2)c(Cl)c1
InChIInChI=1S/C22H24Cl2FN3O/c23-18-14-16(25)15-19(24)22(18)29-13-2-1-8-27-9-11-28(12-10-27)21-5-3-4-20-17(21)6-7-26-20/h3-7,14-15,26H,1-2,8-13H2
InChIKeyYJSOYQIULDLRHZ-UHFFFAOYSA-N
MW436.36 g/mol
LogP5.59
Rot. Bonds7

About 4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole

4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole (PubChem CID 10224982) has the molecular formula C22H24Cl2FN3O and a molecular weight of 436.36 g/mol. Its IUPAC name is 4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole
PubChem CID10224982
Molecular FormulaC22H24Cl2FN3O
Molecular Weight436.36 g/mol
Exact Mass435.13
IUPAC Name4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole
SMILESFc1cc(Cl)c(OCCCCN2CCN(c3cccc4[nH]ccc34)CC2)c(Cl)c1
InChIInChI=1S/C22H24Cl2FN3O/c23-18-14-16(25)15-19(24)22(18)29-13-2-1-8-27-9-11-28(12-10-27)21-5-3-4-20-17(21)6-7-26-20/h3-7,14-15,26H,1-2,8-13H2
InChIKeyYJSOYQIULDLRHZ-UHFFFAOYSA-N
XLogP5.59
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.36
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-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 4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole?
The IUPAC name of 4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole (CID 10224982) is 4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole.
What is the SMILES notation for 4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole?
The canonical SMILES for 4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole is Fc1cc(Cl)c(OCCCCN2CCN(c3cccc4[nH]ccc34)CC2)c(Cl)c1.
What is the InChIKey of 4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole?
The InChIKey is YJSOYQIULDLRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2FN3O/c23-18-14-16(25)15-19(24)22(18)29-13-2-1-8-27-9-11-28(12-10-27)21-5-3-4-20-17(21)6-7-26-20/h3-7,14-15,26H,1-2,8-13H2.
What are the key properties of 4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole?
4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole has a molecular weight of 436.36 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,6-dichloro-4-fluorophenoxy)butyl]piperazin-1-yl]-1H-indole is sourced from PubChem (CID 10224982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).