HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

Piperidine, 3,4-didehydro-2,2,6,6-tetramethyl-

HCID 70502
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1124-69-2
Standard SMILES
CC1(C)C=CCC(C)(C)N1
InChIKey
ZYDUNXCLPOKBNQ-UHFFFAOYSA-N
Molecular formula
C9H17N
Average molar mass
139.24 g/mol
Monoisotopic mass
139.13609955

Names & identifiers

Preferred name
Piperidine, 3,4-didehydro-2,2,6,6-tetramethyl-
IUPAC
2,2,6,6-tetramethyl-1,3-dihydropyridine
English name
2,2,6,6-Tetramethyl-1,2,3,6-tetrahydropyridine
Molecular formula
C9H17N
Molecular weight
139.24

Names & synonyms

1124-69-2Piperidine, 3,4-didehydro-2,2,6,6-tetramethyl-BRN 0109009Pyridine, 1,2,3,6-tetrahydro-2,2,6,6-tetramethyl-DTXSID001500345-20-04-00396 (Beilstein Handbook Reference)RefChem:373244DTXCID90725252,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridine2,2,6,6-tetramethyl-1,3-dihydropyridine2,6-dimethyllutidineSCHEMBL313856
Show more names
1,2,3,6-Tetrahydro-2,2,6,6-tetramethylpyridine2,2,6,6-Tetramethyl-1,2,5,6-tetrahydropyridine
2,2,6,6-TetramethylpyridineSCHEMBL9660063SCHEMBL12498355SCHEMBL15516050SCHEMBL15518567ZYDUNXCLPOKBNQ-UHFFFAOYSA-NDB-239413EN300-96131

Database identifiers

CAS
1124-69-2
PubChem CID
70502
DTXSID
DTXSID00150034
Nikkaji
J50.657E

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
154

Related reactions

4 records
New reaction record
HRID 496239 reaction equation
HRID 496239As reactantuspto-grants-2005_09
HRID 728552 reaction equation
HRID 728552As reactantuspto-grants-1991_09
HRID 916598 reaction equation
HRID 916598As reactantuspto-grants-2007_09
HRID 1133820 reaction equation
HRID 1133820As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes