HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

4-Methyl-1-(piperidin-1-YL)pentan-1-one

HCID 22980873
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)CCC(=O)N1CCCCC1
InChIKey
OLEKOHZAOLNNGQ-UHFFFAOYSA-N
Molecular formula
C11H21NO
Average molar mass
183.29 g/mol

Names & identifiers

Preferred name
4-Methyl-1-(piperidin-1-YL)pentan-1-one
IUPAC
4-methyl-1-piperidin-1-ylpentan-1-one

Names & synonyms

4-METHYL-1-(PIPERIDIN-1-YL)PENTAN-1-ONE1342956-55-14-methyl-1-piperidin-1-ylpentan-1-oneMFCD20355065SCHEMBL12197927SCHEMBL16816305OLEKOHZAOLNNGQ-UHFFFAOYSA-NAKOS0089277374-methyl-1-(1-piperidyl)pentan-1-one4-Methyl-1-(1-piperidinyl)-1-pentanone4-Methyl-1-piperidine-1-ylpentan-1-oneAS-64242
Show more names
DB-195772CS-0036782W13492F538266

Database identifiers

PubChem CID
22980873

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
159

Related reactions

4 records
New reaction record
HRID 137084 reaction equation
HRID 137084As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 292428 reaction equation
HRID 292428As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1912039 reaction equation
HRID 1912039As productuspto-grants-2013_12
HRID 1912040 reaction equation
HRID 1912040As reactantuspto-grants-2013_12

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes