Basic information
- CAS
28143-77-3- Standard SMILES
CCCN(CCC)CC1(C)CN(C)C(C)CC1(OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1.Cl.Cl- InChIKey
GARSAYXSMNHWCY-UHFFFAOYSA-N- Molecular formula
- C28H41Cl2N3O4
- Average molar mass
- 554.5 g/mol
- Monoisotopic mass
- 553.2474122
Names & identifiers
- Preferred name
- 4-Piperidinol, 5-dipropylaminomethyl-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride
- IUPAC
- [5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate;dihydrochloride
Names & synonyms
4-Piperidinol, 5-dipropylaminomethyl-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride28143-77-3RefChem:295887DTXSID209508915-[(Dipropylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl 4-nitrobenzoate--hydrogen chloride (1/2)
Database identifiers
- CAS
28143-77-3- PubChem CID
- 206563
- DTXSID
DTXSID20950891
Properties
Computed structural properties
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 693
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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