Basic information
- Standard SMILES
O=C(CCCN1CCCCC1)c1ccc2c(c1)Cc1cc(C(=O)CCCN3CCCCC3)ccc1O2- InChIKey
YLZJXKRNYXKCOV-UHFFFAOYSA-N- Molecular formula
- C31H40N2O3
- Average molar mass
- 488.7 g/mol
- Monoisotopic mass
- 488.30389314
Names & identifiers
- Preferred name
- 4-(1-piperidyl)-1-[7-[4-(1-piperidyl)butanoyl]-9H-xanthen-2-yl]butan-1-one
- IUPAC
- 4-piperidin-1-yl-1-[7-(4-piperidin-1-ylbutanoyl)-9H-xanthen-2-yl]butan-1-one
Names & synonyms
SCHEMBL11729199YLZJXKRNYXKCOV-UHFFFAOYSA-N2,7-bis(4-piperidinobutyryl)xanthene1-Butanone, 1,1'-(9H-xanthene-2,7-diyl)bis[4-(1-piperidinyl)-4-(1-piperidyl)-1-[7-[4-(1-piperidyl)butanoyl]-9H-xanthen-2-yl]butan-1-one
Database identifiers
- PubChem CID
- 515401
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 657
Related reactions
7 records
Compound notes
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