1-Piperazineethanol, alpha-(3-adamantylmethoxymethyl)-4-methyl-, hydrochloride
Basic information
- CAS
27865-88-9- Standard SMILES
CN1CCN(CC(O)COCC23CC4CC(CC(C4)C2)C3)CC1.Cl- InChIKey
BIXDDZQCQXXANF-UHFFFAOYSA-N- Molecular formula
- C19H35ClN2O2
- Average molar mass
- 358.9 g/mol
- Monoisotopic mass
- 358.2387061
Names & identifiers
- Preferred name
- 1-Piperazineethanol, alpha-(3-adamantylmethoxymethyl)-4-methyl-, hydrochloride
- IUPAC
- 1-(1-adamantylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;hydrochloride
Names & synonyms
27865-88-91-Piperazineethanol, alpha-(3-adamantylmethoxymethyl)-4-methyl-, hydrochloridealpha-(3-Adamantylmethoxymethyl)-4-methyl-1-piperazineethanol hydrochloride1-Piperazineethanol, alpha-((1-adamantylmethoxy)methyl)-4-methyl-, monohydrochlorideRefChem:233940DTXSID609505371-[(Adamantan-1-yl)methoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
27865-88-9- PubChem CID
- 64251
- DTXSID
DTXSID60950537
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…