2,6-dimethyl-1H-pyridin-4-one;piperidine

C12H20N2O — CID 142375468

IUPAC2,6-dimethyl-1H-pyridin-4-one;piperidine
SMILESC1CCNCC1.Cc1cc(=O)cc(C)[nH]1
InChIInChI=1S/C7H9NO.C5H11N/c1-5-3-7(9)4-6(2)8-5;1-2-4-6-5-3-1/h3-4H,1-2H3,(H,8,9);6H,1-5H2
InChIKeyOECIJWRYHCBNLQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.75
Rot. Bonds

About 2,6-dimethyl-1H-pyridin-4-one;piperidine

2,6-dimethyl-1H-pyridin-4-one;piperidine (PubChem CID 142375468) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2,6-dimethyl-1H-pyridin-4-one;piperidine.

Molecular Properties

Compound Name2,6-dimethyl-1H-pyridin-4-one;piperidine
PubChem CID142375468
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2,6-dimethyl-1H-pyridin-4-one;piperidine
SMILESC1CCNCC1.Cc1cc(=O)cc(C)[nH]1
InChIInChI=1S/C7H9NO.C5H11N/c1-5-3-7(9)4-6(2)8-5;1-2-4-6-5-3-1/h3-4H,1-2H3,(H,8,9);6H,1-5H2
InChIKeyOECIJWRYHCBNLQ-UHFFFAOYSA-N
XLogP1.75
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Bis(pentylamino)cyclohexa-2,5-diene-1,4-dione
CID 67826281
(3Z)-4-(Butylamino)-3-penten-2-one
CID 10866573
(Z)-4-(cyclohexylamino)pent-3-en-2-one
CID 11063031
4-(Cyclohexylamino)-3-penten-2-one
CID 68500602
(E)-4-piperidin-1-ylpent-3-en-2-one
CID 11137514
4,4'-(1,6-Hexanediyldiimino)bis(3-penten-2-one)
CID 3734901
2-(Acetylmethylene)tetrahydropyridine
CID 68119052
(Z)-4-(pentylamino)pent-3-en-2-one
CID 130176447
4-(Butylamino)pent-3-en-2-one
CID 12499862
4-(N-butylimino)-2-penten-2-ol
CID 11263625
4-[(3-Aminopropyl)amino]pent-3-en-2-one
CID 71339476
2-((3-Piperidinopropyl)amino)-p-benzoquinone
CID 352994

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1H-pyridin-4-one;piperidine?
The IUPAC name of 2,6-dimethyl-1H-pyridin-4-one;piperidine (CID 142375468) is 2,6-dimethyl-1H-pyridin-4-one;piperidine.
What is the SMILES notation for 2,6-dimethyl-1H-pyridin-4-one;piperidine?
The canonical SMILES for 2,6-dimethyl-1H-pyridin-4-one;piperidine is C1CCNCC1.Cc1cc(=O)cc(C)[nH]1.
What is the InChIKey of 2,6-dimethyl-1H-pyridin-4-one;piperidine?
The InChIKey is OECIJWRYHCBNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.C5H11N/c1-5-3-7(9)4-6(2)8-5;1-2-4-6-5-3-1/h3-4H,1-2H3,(H,8,9);6H,1-5H2.
What are the key properties of 2,6-dimethyl-1H-pyridin-4-one;piperidine?
2,6-dimethyl-1H-pyridin-4-one;piperidine has a molecular weight of 208.31 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1H-pyridin-4-one;piperidine is sourced from PubChem (CID 142375468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).