4-(1-piperidyl)-1-[7-[4-(1-piperidyl)butanoyl]-9H-xanthen-2-yl]butan-1-one

HCID 515401

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

Related reactions

7 records

Compound notes

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