Basic information
- Standard SMILES
c1ccc2c(C3CCC(N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c[nH]c2c1- InChIKey
PKKXQKIYTJVFFJ-UHFFFAOYSA-N- Molecular formula
- C26H30N4
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- 3-[cis-4-[4-(1h-Indol-4-yl)-1-piperazinyl]cyclohexyl]-1h-indole
- IUPAC
- 3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole
Names & synonyms
CHEMBL493037CHEMBL494468SCHEMBL6634336SCHEMBL6634340SCHEMBL6638311PKKXQKIYTJVFFJ-BGYRXZFFSA-NBDBM50252491BDBM502525343-[cis-4-[4-(1h-indol-4-yl)-1-piperazinyl]cyclohexyl]-1h-indole3-[cis-4-[4-(1H-Indol-4-yl)-1-piperazinyl]-cyclo-hexyl]-1H-indole3-[trans-4-[4-(1H-Indol-4-yl)-1-pipera-zinyl]-cyclohexyl]-1H-indole
Database identifiers
- PubChem CID
- 9908855
- ChEMBL
CHEMBL493037、CHEMBL494468
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 565
Related reactions
1 records
Compound notes
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