Basic information
- CAS
102517-12-4- Standard SMILES
Cl.OCCCN1CCN(C23CC4CC(CC(C4)C2)C3)CC1- InChIKey
DCERNYFZAUTXPJ-UHFFFAOYSA-N- Molecular formula
- C17H31ClN2O
- Average molar mass
- 314.9 g/mol
- Monoisotopic mass
- 314.2124913
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, 4-(1-adamantyl)-, hydrochloride
- IUPAC
- 3-[4-(1-adamantyl)piperazin-1-yl]propan-1-ol;hydrochloride
Names & synonyms
1-Piperazinepropanol, 4-(1-adamantyl)-, hydrochloride102517-12-44-(1-Adamantyl)-1-piperazinepropanol hydrochlorideDTXSID70145255RefChem:234048DTXCID70677463-[4-(Adamantan-1-yl)piperazin-1-yl]propan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
102517-12-4- PubChem CID
- 64577
- DTXSID
DTXSID70145255
Properties
Computed structural properties
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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