4-[[9-[(4-fluorophenyl)methyl]-9H-purin-8-yl]amino]-1-piperidineacetonitrile

HCID 19785340
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CCN1CCC(Nc2nc3cncnc3n2Cc2ccc(F)cc2)CC1
InChIKey
XWYMPQQNAPWSKO-UHFFFAOYSA-N
Molecular formula
C19H20FN7
Average molar mass
365.4 g/mol

Names & identifiers

Preferred name
4-[[9-[(4-fluorophenyl)methyl]-9H-purin-8-yl]amino]-1-piperidineacetonitrile
IUPAC
2-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]acetonitrile

Names & synonyms

SCHEMBL9564831XWYMPQQNAPWSKO-UHFFFAOYSA-N4-[[9-[(4-fluorophenyl)methyl]-9H-purin-8-yl]amino]-1-piperidineacetonitrile

Database identifiers

PubChem CID
19785340

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
82.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
27

Related reactions

5 records
New reaction record

Compound notes

Loading…