Basic information
- Standard SMILES
O=C1Nc2ccccc2N(CCCCCCN2CCCCC2)c2ccccc21- InChIKey
LXKLFKAUBDMTLS-UHFFFAOYSA-N- Molecular formula
- C24H31N3O
- Average molar mass
- 377.5 g/mol
Names & identifiers
- Preferred name
- 5,10-Dihydro-5-[6-(1-piperidinyl)-hexyl]-11H-dibenzo[b,e][1,4]diazepin-11-one
- IUPAC
- 11-(6-piperidin-1-ylhexyl)-5H-benzo[b][1,4]benzodiazepin-6-one
Names & synonyms
SCHEMBL9678219LXKLFKAUBDMTLS-UHFFFAOYSA-N5,10-Dihydro-5-[6-(1-piperidinyl)-hexyl]-11H-dibenzo[b,e][1,4]diazepin-11-one
Database identifiers
- PubChem CID
- 14552102
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 490
Related reactions
2 records
Compound notes
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