Basic information
- CAS
62936-26-9- Standard SMILES
CC(C)CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1.Cl.Cl- InChIKey
IPVMVFUJNCFKLM-UHFFFAOYSA-N- Molecular formula
- C18H34Cl2N2
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 348.2099045
Names & identifiers
- Preferred name
- Piperazine, 1-(1-adamantyl)-4-isobutyl-, dihydrochloride
- IUPAC
- 1-(1-adamantyl)-4-(2-methylpropyl)piperazine;dihydrochloride
Names & synonyms
Piperazine, 1-(1-adamantyl)-4-isobutyl-, dihydrochloride1-(1-Adamantyl)-4-isobutylpiperazine dihydrochloride62936-26-9Adamantane, 1-(1-(4-isobutyl)piperazinyl)-, dihydrochlorideDTXSID40212140RefChem:371863DTXCID401346311-(Adamantan-1-yl)-4-(2-methylpropyl)piperazine--hydrogen chloride (1/2)
Database identifiers
- CAS
62936-26-9- PubChem CID
- 64439
- DTXSID
DTXSID40212140
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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