Basic information
- CAS
64384-95-8- Standard SMILES
CC(=O)CCCCCCCCCCCCC1CCC(C)C(O)N1- InChIKey
RNWTVOYJFYATPT-UHFFFAOYSA-N- Molecular formula
- C20H39NO2
- Average molar mass
- 325.5 g/mol
- Monoisotopic mass
- 325.29807949
Names & identifiers
- Preferred name
- dl-Spectaline
- IUPAC
- 14-(6-hydroxy-5-methylpiperidin-2-yl)tetradecan-2-one
Names & synonyms
dl-SpectalineNSC 65229814-(6-Hydroxy-5-methyl-2-piperidinyl)-2-tetradecanoneNSC65229814-(6-hydroxy-5-methyl-2-piperidyl)tetradecan-2-one
Database identifiers
- CAS
64384-95-8- PubChem CID
- 495385
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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