4-Piperidinol, 1-butyl-4-(3-(1-butyl-4-oxo)piperidyl)-, propionate, dihydrochloride
Basic information
- CAS
63938-83-0- Standard SMILES
CCCCN1CCC(=O)C(C2CCN(CCCC)C(OC(=O)CC)C2)C1.Cl.Cl- InChIKey
MXZNFYAZTAGKQZ-UHFFFAOYSA-N- Molecular formula
- C21H40Cl2N2O3
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 438.2415985
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-butyl-4-(3-(1-butyl-4-oxo)piperidyl)-, propionate, dihydrochloride
- IUPAC
- [1-butyl-4-(1-butyl-4-oxopiperidin-3-yl)piperidin-2-yl] propanoate;dihydrochloride
Names & synonyms
NU-10924-Piperidinol, 1-butyl-4-(3-(1-butyl-4-oxo)piperidyl)-, propionate, dihydrochloride63938-83-0RefChem:295770DTXSID50981259Morpholin-4-ium tetradecyl phosphate1,1'-Dibutyl-4-oxo[3,4'-bipiperidin]-2'-yl propanoate--hydrogen chloride (1/2)
Database identifiers
- CAS
63938-83-0- PubChem CID
- 115387
- DTXSID
DTXSID50981259
Properties
Computed structural properties
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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