Basic information
- CAS
69353-37-3- Standard SMILES
COc1cc2c(cc1CC1CCCNC1)C(=O)c1ccccc1C2=O- InChIKey
UPTCUNSOIBCWJQ-UHFFFAOYSA-N- Molecular formula
- C21H21NO3
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.15214353
Names & identifiers
- Preferred name
- Anthraquinone, 2-methoxy-3-piperidinomethyl-
- IUPAC
- 2-methoxy-3-(piperidin-3-ylmethyl)anthracene-9,10-dione
Names & synonyms
2-Methoxy-3-piperidinomethylanthraquinoneANTHRAQUINONE, 2-METHOXY-3-PIPERIDINOMETHYL-69353-37-3RefChem:319868DTXSID409891082-Methoxy-3-[(piperidin-3-yl)methyl]anthracene-9,10-dione
Database identifiers
- CAS
69353-37-3- PubChem CID
- 50434
- DTXSID
DTXSID40989108
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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