Basic information
- CAS
59177-68-3- Standard SMILES
CN1CCN(CC23CC4CC(CC(C4)C2O)C3)CC1.Cl.Cl- InChIKey
AHNJRVQNALCMNR-UHFFFAOYSA-N- Molecular formula
- C16H30Cl2N2O
- Average molar mass
- 337.3 g/mol
- Monoisotopic mass
- 336.173519
Names & identifiers
- Preferred name
- 2-Adamantanol, 1-(4-methyl-1-piperazinyl)methyl-, dihydrochloride
- IUPAC
- 1-[(4-methylpiperazin-1-yl)methyl]adamantan-2-ol;dihydrochloride
- English name
- 1-[(4-methylpiperazin-1-yl)methyl]adamantan-2-ol dihydrochloride
- Molecular formula
- C16H29ClN2O
- Molecular weight
- 300.87
Names & synonyms
59177-68-32-ADAMANTANOL, 1-(4-METHYL-1-PIPERAZINYL)METHYL-, DIHYDROCHLORIDE2-Hydroxy-1-(4-methyl-1-piperazinyl)methyladamantane dihydrochlorideRefChem:2551321-[(4-methylpiperazin-1-yl)methyl]adamantan-2-ol dihydrochlorideDTXSID50974606DB-3542621-[(4-Methylpiperazin-1-yl)methyl ]adamantan-2-ol dihydrochloride1-[(4-Methylpiperazin-1-yl)methyl]adamantan-2-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
59177-68-3- PubChem CID
- 42971
- DTXSID
DTXSID50974606
Properties
Computed structural properties
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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