Basic information
- CAS
62936-25-8- Standard SMILES
CCCCN1CCN(C23CC4CC(CC(C4)C2)C3)CC1.Cl.Cl- InChIKey
PZUMPIBLYWKGQG-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-butyl-, dihydrochloride
- IUPAC
- 1-(1-adamantyl)-4-butylpiperazine;dihydrochloride
Names & synonyms
Piperazine, 1-(1-adamantyl)-4-butyl-, dihydrochloride1-(1-Adamantyl)-4-butylpiperazine dihydrochlorideDTXSID30212139RefChem:371859DTXCID8013463062936-25-81-(Adamantan-1-yl)-4-butylpiperazine--hydrogen chloride (1/2)
Database identifiers
- CAS
62936-25-8- PubChem CID
- 64437
- DTXSID
DTXSID30212139
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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