4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride

C21H24ClF3N4O — CID 169091655

IUPAC4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
SMILESCl.FC(F)(F)c1ccc(OCCCN2CCN(c3cccc4[nH]ccc34)CC2)cn1
InChIInChI=1S/C21H23F3N4O.ClH/c22-21(23,24)20-6-5-16(15-26-20)29-14-2-9-27-10-12-28(13-11-27)19-4-1-3-18-17(19)7-8-25-18;/h1,3-8,15,25H,2,9-14H2;1H
InChIKeyWNYJTRVOCBZGQS-UHFFFAOYSA-N
MW440.90 g/mol
LogP4.59
Rot. Bonds6

About 4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride

4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride (PubChem CID 169091655) has the molecular formula C21H24ClF3N4O and a molecular weight of 440.90 g/mol. Its IUPAC name is 4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride.

Molecular Properties

Compound Name4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
PubChem CID169091655
Molecular FormulaC21H24ClF3N4O
Molecular Weight440.90 g/mol
Exact Mass440.16
IUPAC Name4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
SMILESCl.FC(F)(F)c1ccc(OCCCN2CCN(c3cccc4[nH]ccc34)CC2)cn1
InChIInChI=1S/C21H23F3N4O.ClH/c22-21(23,24)20-6-5-16(15-26-20)29-14-2-9-27-10-12-28(13-11-27)19-4-1-3-18-17(19)7-8-25-18;/h1,3-8,15,25H,2,9-14H2;1H
InChIKeyWNYJTRVOCBZGQS-UHFFFAOYSA-N
XLogP4.59
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.90
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091638
3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]benzonitrile
CID 10109963
7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole
CID 169091641
4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole
CID 10110269
2-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]benzonitrile
CID 172837364
4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole
CID 10156458
N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 19694155
4-[4-[4-(2,6-dimethylphenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10200617
4-[4-[4-(3-chlorophenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10111569
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride
CID 2729522
4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole
CID 91385388
N-(cyclohexanecarbonyl)-N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]cyclohexanecarboxamide;dihydrochloride
CID 70123294

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride?
The IUPAC name of 4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride (CID 169091655) is 4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride.
What is the SMILES notation for 4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride?
The canonical SMILES for 4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride is Cl.FC(F)(F)c1ccc(OCCCN2CCN(c3cccc4[nH]ccc34)CC2)cn1.
What is the InChIKey of 4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride?
The InChIKey is WNYJTRVOCBZGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O.ClH/c22-21(23,24)20-6-5-16(15-26-20)29-14-2-9-27-10-12-28(13-11-27)19-4-1-3-18-17(19)7-8-25-18;/h1,3-8,15,25H,2,9-14H2;1H.
What are the key properties of 4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride?
4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride has a molecular weight of 440.90 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride is sourced from PubChem (CID 169091655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).