Basic information
- CAS
135-22-8- Standard SMILES
c1ccc2c(c1)c(Cc1cn(CN3CCCCC3)c3ccccc13)cn2CN1CCCCC1- InChIKey
QDDZNCHAEUZCPL-UHFFFAOYSA-N- Molecular formula
- C29H36N4
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.29399717
Names & identifiers
- Preferred name
- Indole, 3,3'-methylenebis(1-(piperidinomethyl)-
- IUPAC
- 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole
- English name
- 3,3'-Methylenebis[1-(1-piperidinylmethyl)-1H-indole]
- Molecular weight
- 0
Names & synonyms
135-22-8BRN 0771249INDOLE, 3,3'-METHYLENEBIS(1-(PIPERIDINOMETHYL)-3,3'-Methylenebis(1-(piperidinomethyl)indole)DTXSID101591941H-Indole, 3,3'-methylenebis(1-(1-piperidinylmethyl)-RefChem:349175DTXCID50816851H-Indole, 3,3'-methylenebis(1-(1-piperidinylmethyl)-(9CI)1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole3,3/'-Methylenebis[1-(1-piperidinylmethyl)-1H-indole]3,3'-Methylenebis{1-[(piperidin-1-yl)methyl]-1H-indole}
Show more names
3,3'-Methylenebis[1-(1-piperidinylmethyl)-1H-indole]
3,3a(2)-Methylenebis[1-(1-piperidinylmethyl)-1H-indole]
Database identifiers
- CAS
135-22-8- PubChem CID
- 8666
- DTXSID
DTXSID10159194
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 16.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- Boiling point
- 541.82 °C · 541.82°C (rough estimate)
- Density
- 1.2924 · 1.2924 (rough estimate)
- refractive index
- 1.7 · 1.7000 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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