Basic information
- CAS
5053-12-3- Standard SMILES
N=C(N)n1nc(C2CCCCN2Cc2ccccc2)c2c1NCCCC2- InChIKey
XFFHBFBJYXDWON-UHFFFAOYSA-N- Molecular formula
- C20H28N6
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.23754492
Names & identifiers
- Preferred name
- 3-(1-Benzylpiperidin-2-yl)-4,5,6,7-tetrahydropyrazolo[3,4-b]azepine-1(2H)-carboximidamide
- IUPAC
- 3-(1-benzylpiperidin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine-1-carboximidamide
Names & synonyms
5053-12-3DTXSID204224473-(1-Benzylpiperidin-2-yl)-4,5,6,7-tetrahydropyrazolo[3,4-b]azepine-1(2H)-carboximidamide
Database identifiers
- CAS
5053-12-3- PubChem CID
- 5228545
- DTXSID
DTXSID20422447
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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