Basic information
- CAS
38916-93-7- Standard SMILES
Cl.Cl.c1ccc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1- InChIKey
FEJUOHYCGHKIQL-UHFFFAOYSA-N- Molecular formula
- C21H32Cl2N2
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 382.1942544
Names & identifiers
- Preferred name
- Piperazine, 1-(1-adamantyl)-4-benzyl-, dihydrochloride
- IUPAC
- 1-(1-adamantyl)-4-benzylpiperazine;dihydrochloride
Names & synonyms
Piperazine, 1-(1-adamantyl)-4-benzyl-, dihydrochloride1-(1-Adamantyl)-4-benzylpiperazine dihydrochlorideAdamantane, 1-(4-benzyl-1-piperazinyl)-, dihydrochlorideDTXSID70192188RefChem:371858DTXCID8011467938916-93-71-(Adamantan-1-yl)-4-benzylpiperazine--hydrogen chloride (1/2)
Database identifiers
- CAS
38916-93-7- PubChem CID
- 64335
- DTXSID
DTXSID70192188
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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