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

C20H24BrClN4O — CID 169091638

IUPAC4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
SMILESBrc1ccc(OCCCN2CCN(c3cccc4[nH]ccc34)CC2)cn1.Cl
InChIInChI=1S/C20H23BrN4O.ClH/c21-20-6-5-16(15-23-20)26-14-2-9-24-10-12-25(13-11-24)19-4-1-3-18-17(19)7-8-22-18;/h1,3-8,15,22H,2,9-14H2;1H
InChIKeyMVUUIPQPIAIPGG-UHFFFAOYSA-N
MW451.80 g/mol
LogP4.34
Rot. Bonds6

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

4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride (PubChem CID 169091638) has the molecular formula C20H24BrClN4O and a molecular weight of 451.80 g/mol. Its IUPAC name is 4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride.

Molecular Properties

Compound Name4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
PubChem CID169091638
Molecular FormulaC20H24BrClN4O
Molecular Weight451.80 g/mol
Exact Mass450.08
IUPAC Name4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
SMILESBrc1ccc(OCCCN2CCN(c3cccc4[nH]ccc34)CC2)cn1.Cl
InChIInChI=1S/C20H23BrN4O.ClH/c21-20-6-5-16(15-23-20)26-14-2-9-24-10-12-25(13-11-24)19-4-1-3-18-17(19)7-8-22-18;/h1,3-8,15,22H,2,9-14H2;1H
InChIKeyMVUUIPQPIAIPGG-UHFFFAOYSA-N
XLogP4.34
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.80
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091655
3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]benzonitrile
CID 10109963
4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole
CID 10110269
7-[4-[3-[(6-fluoro-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole
CID 169091641
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
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
4-[4-[4-(2,6-dimethylphenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10200617
N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 19694155
4-[4-[4-(3-chlorophenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10111569
4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole
CID 91385388
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride
CID 2729522

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride?
The IUPAC name of 4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride (CID 169091638) is 4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride.
What is the SMILES notation for 4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride?
The canonical SMILES for 4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride is Brc1ccc(OCCCN2CCN(c3cccc4[nH]ccc34)CC2)cn1.Cl.
What is the InChIKey of 4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride?
The InChIKey is MVUUIPQPIAIPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O.ClH/c21-20-6-5-16(15-23-20)26-14-2-9-24-10-12-25(13-11-24)19-4-1-3-18-17(19)7-8-22-18;/h1,3-8,15,22H,2,9-14H2;1H.
What are the key properties of 4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride?
4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride has a molecular weight of 451.80 g/mol, XLogP of 4.34, 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-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride is sourced from PubChem (CID 169091638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).