1-Methyl-4-(3-nitro-6-pentafluoroethyl-phenoxymethyl)-piperidine

HCID 22249451
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCC(COc2cc([N+](=O)[O-])ccc2C(F)(F)C(F)(F)F)CC1
InChIKey
XFPHAFHXDFIFTG-UHFFFAOYSA-N
Molecular formula
C15H17F5N2O3
Average molar mass
368.3 g/mol

Names & identifiers

Preferred name
1-Methyl-4-(3-nitro-6-pentafluoroethyl-phenoxymethyl)-piperidine
IUPAC
1-methyl-4-[[5-nitro-2-(1,1,2,2,2-pentafluoroethyl)phenoxy]methyl]piperidine

Names & synonyms

1-methyl-4-(3-nitro-6-pentafluoroethyl-phenoxymethyl)-piperidineSCHEMBL1655800

Database identifiers

PubChem CID
22249451

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
58.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
25

Related reactions

5 records
New reaction record

Compound notes

Loading…