Basic information
- CAS
37819-61-7- Standard SMILES
Cl.Cl.c1ccc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1- InChIKey
UBWNLNFKVBNZJV-UHFFFAOYSA-N- Molecular formula
- C20H30Cl2N2
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 368.1786044
Names & identifiers
- Preferred name
- Piperazine, 1-(1-adamantyl)-4-phenyl-, dihydrochloride
- IUPAC
- 1-(1-adamantyl)-4-phenylpiperazine;dihydrochloride
Names & synonyms
Piperazine, 1-(1-adamantyl)-4-phenyl-, dihydrochloride1-(1-Adamantyl)-4-phenylpiperazine dihydrochloride37819-61-7Adamantane, 1-(4-phenyl-1-piperazinyl)-, dihydrochlorideDTXSID20191262RefChem:371868DTXCID301137531-(Adamantan-1-yl)-4-phenylpiperazine--hydrogen chloride (1/2)
Database identifiers
- CAS
37819-61-7- PubChem CID
- 64321
- DTXSID
DTXSID20191262
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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