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N-(4-Cyanophenyl)-4-piperidone propylene ketal

HCID 57228643
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1COC2(CCN(c3ccc(C#N)cc3)CC2)O1
InChIKey
REVZXJPQTVGWOV-UHFFFAOYSA-N
Molecular formula
C15H18N2O2
Average molar mass
258.32 g/mol
Monoisotopic mass
258.13682782

Names & identifiers

Preferred name
N-(4-Cyanophenyl)-4-piperidone propylene ketal
IUPAC
4-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzonitrile

Names & synonyms

REVZXJPQTVGWOV-UHFFFAOYSA-NN-(4-Cyanophenyl)-4-piperidone propylene ketal

Database identifiers

PubChem CID
57228643

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
45.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Formal charge
0
Complexity
360

Related reactions

4 records
New reaction record
HRID 842784 reaction equation
HRID 842784As productuspto-grants-2002_04
HRID 842785 reaction equation
HRID 842785As reactantuspto-grants-2002_04
HRID 2149621 reaction equation
HRID 2149621As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2153212 reaction equation
HRID 2153212As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes