6-(3-Piperidinomethylphenoxy)hexanenitrile

HCID 21294599
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CCCCCCOc1cccc(CN2CCCCC2)c1
InChIKey
JASWYNPQBZTEGQ-UHFFFAOYSA-N
Molecular formula
C18H26N2O
Average molar mass
286.4 g/mol

Names & identifiers

Preferred name
6-(3-Piperidinomethylphenoxy)hexanenitrile
IUPAC
6-[3-(piperidin-1-ylmethyl)phenoxy]hexanenitrile

Names & synonyms

SCHEMBL10667188JASWYNPQBZTEGQ-UHFFFAOYSA-N6-(3-piperidinomethylphenoxy)hexanenitrile

Database identifiers

PubChem CID
21294599

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
36.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

Loading…