4-(4-Nitro-3-piperidinomethylphenoxy)butyronitrile

HCID 21294539
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CCCCOc1ccc([N+](=O)[O-])c(CN2CCCCC2)c1
InChIKey
GGAUWIHFBZSSDH-UHFFFAOYSA-N
Molecular formula
C16H21N3O3
Average molar mass
303.36 g/mol

Names & identifiers

Preferred name
4-(4-Nitro-3-piperidinomethylphenoxy)butyronitrile
IUPAC
4-[4-nitro-3-(piperidin-1-ylmethyl)phenoxy]butanenitrile

Names & synonyms

SCHEMBL10660805GGAUWIHFBZSSDH-UHFFFAOYSA-N4-(4-nitro-3-piperidinomethylphenoxy)butyronitrile

Database identifiers

PubChem CID
21294539

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
82.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

Loading…