2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+)

C23H26ClN2ORb — CID 59958666

IUPAC2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+)
SMILESClc1ccc(OCc2cc3[c-]cccc3n2CCCC2CCNCC2)cc1.[Rb+]
InChIInChI=1S/C23H26ClN2O.Rb/c24-20-7-9-22(10-8-20)27-17-21-16-19-5-1-2-6-23(19)26(21)15-3-4-18-11-13-25-14-12-18;/h1-2,6-10,16,18,25H,3-4,11-15,17H2;/q-1;+1
InChIKeyYVINQOOIJMBVJJ-UHFFFAOYSA-N
MW467.40 g/mol
LogP2.46
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+)

2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+) (PubChem CID 59958666) has the molecular formula C23H26ClN2ORb and a molecular weight of 467.40 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+).

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+)
PubChem CID59958666
Molecular FormulaC23H26ClN2ORb
Molecular Weight467.40 g/mol
Exact Mass466.09
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+)
SMILESClc1ccc(OCc2cc3[c-]cccc3n2CCCC2CCNCC2)cc1.[Rb+]
InChIInChI=1S/C23H26ClN2O.Rb/c24-20-7-9-22(10-8-20)27-17-21-16-19-5-1-2-6-23(19)26(21)15-3-4-18-11-13-25-14-12-18;/h1-2,6-10,16,18,25H,3-4,11-15,17H2;/q-1;+1
InChIKeyYVINQOOIJMBVJJ-UHFFFAOYSA-N
XLogP2.46
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+)?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+) (CID 59958666) is 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+).
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+)?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+) is Clc1ccc(OCc2cc3[c-]cccc3n2CCCC2CCNCC2)cc1.[Rb+].
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+)?
The InChIKey is YVINQOOIJMBVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN2O.Rb/c24-20-7-9-22(10-8-20)27-17-21-16-19-5-1-2-6-23(19)26(21)15-3-4-18-11-13-25-14-12-18;/h1-2,6-10,16,18,25H,3-4,11-15,17H2;/q-1;+1.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+)?
2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+) has a molecular weight of 467.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-4-ylpropyl)-4H-indol-4-ide;rubidium(1+) is sourced from PubChem (CID 59958666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).