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1-Butyl-3-piperidinone

HCID 20031345
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCN1CCCC(=O)C1
InChIKey
WAFWCNFRHDIBBT-UHFFFAOYSA-N
Molecular formula
C9H17NO
Average molar mass
155.24 g/mol
Monoisotopic mass
155.13101417

Names & identifiers

Preferred name
1-Butyl-3-piperidinone
IUPAC
1-butylpiperidin-3-one

Names & synonyms

1-Butyl-3-piperidinoneSCHEMBL3734236SCHEMBL27380362WAFWCNFRHDIBBT-UHFFFAOYSA-NAKOS020296539

Database identifiers

PubChem CID
20031345

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
11
Formal charge
0
Complexity
134

Related reactions

4 records
New reaction record
HRID 157070 reaction equation
HRID 157070As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 202239 reaction equation
HRID 202239As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 232294 reaction equation
HRID 232294As productuspto-grants-1989_07
HRID 232321 reaction equation
HRID 232321As reactantuspto-grants-1989_07

Compound notes

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