Piperazine, 1-(1-adamantyl)-4-tert-butyl-, dihydrochloride
Basic information
- CAS
38789-57-0- Standard SMILES
CC(C)(C)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1.Cl.Cl- InChIKey
XHIJWGWTXRMDMS-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-tert-butyl-, dihydrochloride
- IUPAC
- 1-(1-adamantyl)-4-tert-butylpiperazine;dihydrochloride
Names & synonyms
Piperazine, 1-(1-adamantyl)-4-tert-butyl-, dihydrochloride1-(1-Adamantyl)-4-tert-butylpiperazine dihydrochloride38789-57-0DTXSID60192056RefChem:371870DTXCID701145471-(Adamantan-1-yl)-4-tert-butylpiperazine--hydrogen chloride (1/2)
Database identifiers
- CAS
38789-57-0- PubChem CID
- 64331
- DTXSID
DTXSID60192056
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 332
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Compound notes
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