2,6-dimethyl-1-piperidin-3-ylpyridin-4-one

C12H18N2O — CID 79885789

IUPAC2,6-dimethyl-1-piperidin-3-ylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1CCCNC1
InChIInChI=1S/C12H18N2O/c1-9-6-12(15)7-10(2)14(9)11-4-3-5-13-8-11/h6-7,11,13H,3-5,8H2,1-2H3
InChIKeyLDNOYBCNDHABIV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.39
Rot. Bonds1

About 2,6-dimethyl-1-piperidin-3-ylpyridin-4-one

2,6-dimethyl-1-piperidin-3-ylpyridin-4-one (PubChem CID 79885789) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,6-dimethyl-1-piperidin-3-ylpyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1-piperidin-3-ylpyridin-4-one
PubChem CID79885789
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2,6-dimethyl-1-piperidin-3-ylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1CCCNC1
InChIInChI=1S/C12H18N2O/c1-9-6-12(15)7-10(2)14(9)11-4-3-5-13-8-11/h6-7,11,13H,3-5,8H2,1-2H3
InChIKeyLDNOYBCNDHABIV-UHFFFAOYSA-N
XLogP1.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,6-dioxo-4-(2-piperidin-1-ylethylamino)cyclohexa-1,4-dien-1-yl]acetamide
CID 137634599
3-Hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
CID 162673301
(Z)-4-(cyclohexylamino)pent-3-en-2-one
CID 11063031
4-(Cyclohexylamino)-3-penten-2-one
CID 68500602
(Z)-4-[2-(diethylamino)ethylamino]pent-3-en-2-one
CID 59155341
2-(Acetylmethylene)tetrahydropyridine
CID 68119052
(Z)-4-(pentylamino)pent-3-en-2-one
CID 130176447
2-[(4-Amino-1-piperidinyl)methyl]-3,5-dimethyl-4-pyridinol
CID 37967146
(E)-1,1,1-trifluoro-4-[(1-methyl-4-piperidinyl)amino]-3-penten-2-one
CID 16412814
1,1,1-Trifluoro-4-[(1-methyl-4-piperidyl)amino]pent-3-en-2-one
CID 53396550
(E)-4-[2-[[(E)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one
CID 5383292
4,4'-(Propane-1,2-diyldiazanediyl)di(pent-3-en-2-one)
CID 294448

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-piperidin-3-ylpyridin-4-one?
The IUPAC name of 2,6-dimethyl-1-piperidin-3-ylpyridin-4-one (CID 79885789) is 2,6-dimethyl-1-piperidin-3-ylpyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-1-piperidin-3-ylpyridin-4-one?
The canonical SMILES for 2,6-dimethyl-1-piperidin-3-ylpyridin-4-one is Cc1cc(=O)cc(C)n1C1CCCNC1.
What is the InChIKey of 2,6-dimethyl-1-piperidin-3-ylpyridin-4-one?
The InChIKey is LDNOYBCNDHABIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-6-12(15)7-10(2)14(9)11-4-3-5-13-8-11/h6-7,11,13H,3-5,8H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-piperidin-3-ylpyridin-4-one?
2,6-dimethyl-1-piperidin-3-ylpyridin-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-piperidin-3-ylpyridin-4-one is sourced from PubChem (CID 79885789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).