Basic information
- CAS
2849-01-6- Standard SMILES
c1ccc2c(c1)N=C(N1CCCCC1)Nc1ccccc1-2- InChIKey
NQCIGBIBALILNU-UHFFFAOYSA-N- Molecular formula
- C18H19N3
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.15789762
Names & identifiers
- Preferred name
- 5H-DIBENZO(d,f)(1,3)DIAZEPINE, 6-PIPERIDINO-
- IUPAC
- 6-piperidin-1-yl-7H-benzo[d][1,3]benzodiazepine
Names & synonyms
5H-DIBENZO(d,f)(1,3)DIAZEPINE, 6-PIPERIDINO-2849-01-6BRN 06647406-Piperidino-5H-dibenzo(d,f)(1,3)diazepineDTXSID601827156-(piperidin-1-yl)-5H-dibenzo[d,f][1,3]diazepine
Database identifiers
- CAS
2849-01-6- PubChem CID
- 17837
- DTXSID
DTXSID60182715- Nikkaji
- J72.840C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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