Basic information
- CAS
64050-21-1- Standard SMILES
CC(CC12CC3CC(CC(C3)C1)C2)N1CCN(O)CC1.Cl.Cl- InChIKey
MFLUYHDIXUHWTL-UHFFFAOYSA-N- Molecular formula
- C17H32Cl2N2O
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 350.189169
Names & identifiers
- Preferred name
- Adamantane, 1-(2-(4-hydroxypiperazinyl)propyl)-, dihydrochloride
- IUPAC
- 1-[1-(1-adamantyl)propan-2-yl]-4-hydroxypiperazine;dihydrochloride
Names & synonyms
ADAMANTANE, 1-(2-(4-HYDROXYPIPERAZINYL)PROPYL)-, DIHYDROCHLORIDE64050-21-1Piperazine, 1-(2-(1-adamantyl)-1-methyl)ethyl-4-hydroxy-, dihydrochlorideRefChem:317217DTXSID709823894-[1-(Adamantan-1-yl)propan-2-yl]piperazin-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
64050-21-1- PubChem CID
- 46992
- DTXSID
DTXSID70982389
Properties
Computed structural properties
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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