[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]azanium

HCID 178458037
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC([NH3+])C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey
XRXIVXNCKCAFAX-UHFFFAOYSA-O
Molecular formula
C17H26ClN2O2+
Average molar mass
325.9 g/mol
Monoisotopic mass
325.1682808

Names & identifiers

IUPAC
[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]azanium

Database identifiers

PubChem CID
76725576

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
68.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
22

Related reactions

1 records
New reaction record

Compound notes

Loading…