2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine

C13H22N2O — CID 156748457

IUPAC2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine
SMILESC[C@@H]1CCCCN1.Cc1cc(=O)cc(C)[nH]1
InChIInChI=1S/C7H9NO.C6H13N/c1-5-3-7(9)4-6(2)8-5;1-6-4-2-3-5-7-6/h3-4H,1-2H3,(H,8,9);6-7H,2-5H2,1H3/t;6-/m.1/s1
InChIKeyIJXGLSGYKDZQLA-FCXZQVPUSA-N
MW222.33 g/mol
LogP2.14
Rot. Bonds

About 2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine

2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine (PubChem CID 156748457) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine.

Molecular Properties

Compound Name2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine
PubChem CID156748457
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine
SMILESC[C@@H]1CCCCN1.Cc1cc(=O)cc(C)[nH]1
InChIInChI=1S/C7H9NO.C6H13N/c1-5-3-7(9)4-6(2)8-5;1-6-4-2-3-5-7-6/h3-4H,1-2H3,(H,8,9);6-7H,2-5H2,1H3/t;6-/m.1/s1
InChIKeyIJXGLSGYKDZQLA-FCXZQVPUSA-N
XLogP2.14
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine?
The IUPAC name of 2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine (CID 156748457) is 2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine.
What is the SMILES notation for 2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine?
The canonical SMILES for 2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine is C[C@@H]1CCCCN1.Cc1cc(=O)cc(C)[nH]1.
What is the InChIKey of 2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine?
The InChIKey is IJXGLSGYKDZQLA-FCXZQVPUSA-N. The full InChI is InChI=1S/C7H9NO.C6H13N/c1-5-3-7(9)4-6(2)8-5;1-6-4-2-3-5-7-6/h3-4H,1-2H3,(H,8,9);6-7H,2-5H2,1H3/t;6-/m.1/s1.
What are the key properties of 2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine?
2,6-dimethyl-1H-pyridin-4-one;(2R)-2-methylpiperidine has a molecular weight of 222.33 g/mol, XLogP of 2.14, 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;(2R)-2-methylpiperidine is sourced from PubChem (CID 156748457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).