[6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol

C₂₅H₂₅Cl₂N₃O — CID 152847395

About [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol

[6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol (PubChem CID 152847395) has the molecular formula C₂₅H₂₅Cl₂N₃O and a molecular weight of 454.40 g/mol. Its IUPAC name is [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol.

Molecular Properties

• Compound Name: [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol
• PubChem CID: 152847395
• Molecular Formula: C₂₅H₂₅Cl₂N₃O
• Molecular Weight: 454.40 g/mol
• Exact Mass: 453.14
• IUPAC Name: [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol
• SMILES: Cc1nc(N2CCC3(CC2)Cc2ccccc2C3)c(CO)nc1-c1cccc(Cl)c1Cl
• InChI: InChI=1S/C25H25Cl2N3O/c1-16-23(19-7-4-8-20(26)22(19)27)29-21(15-31)24(28-16)30-11-9-25(10-12-30)13-17-5-2-3-6-18(17)14-25/h2-8,31H,9-15H2,1H3
• InChIKey: TUKJYZAHLJEPJS-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 49.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.40
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol?

The IUPAC name of [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol (CID 152847395) is [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol.

What is the SMILES notation for [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol?

The canonical SMILES for [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol is Cc1nc(N2CCC3(CC2)Cc2ccccc2C3)c(CO)nc1-c1cccc(Cl)c1Cl.

What is the InChIKey of [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol?

The InChIKey is TUKJYZAHLJEPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O/c1-16-23(19-7-4-8-20(26)22(19)27)29-21(15-31)24(28-16)30-11-9-25(10-12-30)13-17-5-2-3-6-18(17)14-25/h2-8,31H,9-15H2,1H3.

What are the key properties of [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol?

[6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol has a molecular weight of 454.40 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol is sourced from PubChem (CID 152847395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152847395 — identifiers, structure, computed properties (public domain)

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