4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole

C21H23ClFN3O — CID 10200256

IUPAC4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole
SMILESFc1ccc(OCCCN2CCN(c3cccc4[nH]ccc34)CC2)c(Cl)c1
InChIInChI=1S/C21H23ClFN3O/c22-18-15-16(23)5-6-21(18)27-14-2-9-25-10-12-26(13-11-25)20-4-1-3-19-17(20)7-8-24-19/h1,3-8,15,24H,2,9-14H2
InChIKeyQKGJFOAIPFGKHD-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.55
Rot. Bonds6

About 4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole

4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole (PubChem CID 10200256) has the molecular formula C21H23ClFN3O and a molecular weight of 387.89 g/mol. Its IUPAC name is 4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole
PubChem CID10200256
Molecular FormulaC21H23ClFN3O
Molecular Weight387.89 g/mol
Exact Mass387.15
IUPAC Name4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole
SMILESFc1ccc(OCCCN2CCN(c3cccc4[nH]ccc34)CC2)c(Cl)c1
InChIInChI=1S/C21H23ClFN3O/c22-18-15-16(23)5-6-21(18)27-14-2-9-25-10-12-26(13-11-25)20-4-1-3-19-17(20)7-8-24-19/h1,3-8,15,24H,2,9-14H2
InChIKeyQKGJFOAIPFGKHD-UHFFFAOYSA-N
XLogP4.55
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole?
The IUPAC name of 4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole (CID 10200256) is 4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole.
What is the SMILES notation for 4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole?
The canonical SMILES for 4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole is Fc1ccc(OCCCN2CCN(c3cccc4[nH]ccc34)CC2)c(Cl)c1.
What is the InChIKey of 4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole?
The InChIKey is QKGJFOAIPFGKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O/c22-18-15-16(23)5-6-21(18)27-14-2-9-25-10-12-26(13-11-25)20-4-1-3-19-17(20)7-8-24-19/h1,3-8,15,24H,2,9-14H2.
What are the key properties of 4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole?
4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole has a molecular weight of 387.89 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-chloro-4-fluorophenoxy)propyl]piperazin-1-yl]-1H-indole is sourced from PubChem (CID 10200256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).