Basic information
- CAS
21491-20-3- Standard SMILES
c1ccc(C2(c3ccccc3)COC(c3ccccc3)(C3CCCCN3)OC2)cc1- InChIKey
MLGCFPJCQZKRCK-UHFFFAOYSA-N- Molecular formula
- C27H29NO2
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.21982917
Names & identifiers
- Preferred name
- Piperidine, 2-(2,5,5-triphenyl-m-dioxan-2-yl)-, (+-)-
- IUPAC
- 2-(2,5,5-triphenyl-1,3-dioxan-2-yl)piperidine
Names & synonyms
21491-20-3Piperidine, 2-(2,5,5-triphenyl-m-dioxan-2-yl)-, (+-)-RefChem:10962162-(2,5,5-triphenyl-1,3-dioxan-2-yl)piperidineBRN 1045590(+-)-2-(2,5,5-Triphenyl-m-dioxan-2-yl)piperidine(+-)-2-alpha-Piperidyl-2,5,5-triphenyl-1,3-dioxaneDTXSID60944092
Database identifiers
- CAS
21491-20-3- PubChem CID
- 210684
- DTXSID
DTXSID60944092
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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