3-Benzyloxy-2-((2,6-dimethylpiperidino)amino)propionitrile

HCID 19915656
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1CCCC(C)N1NC(C#N)COCc1ccccc1
InChIKey
QPNWURVRYAJLBA-UHFFFAOYSA-N
Molecular formula
C17H25N3O
Average molar mass
287.4 g/mol
Monoisotopic mass
287.19976243

Names & identifiers

Preferred name
3-Benzyloxy-2-((2,6-dimethylpiperidino)amino)propionitrile
IUPAC
2-[(2,6-dimethylpiperidin-1-yl)amino]-3-phenylmethoxypropanenitrile

Names & synonyms

SCHEMBL9720076QPNWURVRYAJLBA-UHFFFAOYSA-N3-benzyloxy-2-((2,6-dimethylpiperidino)amino)propionitrile

Database identifiers

PubChem CID
19915656

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
48.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

Loading…