5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one

C16H27N3O2 — CID 82218244

IUPAC5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one
SMILESCC(C)n1cc(O)c(=O)cc1CN(C)C1CCN(C)CC1
InChIInChI=1S/C16H27N3O2/c1-12(2)19-11-16(21)15(20)9-14(19)10-18(4)13-5-7-17(3)8-6-13/h9,11-13,21H,5-8,10H2,1-4H3
InChIKeyLWYDKZZLZXYYAI-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.66
Rot. Bonds4

About 5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one

5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one (PubChem CID 82218244) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one
PubChem CID82218244
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one
SMILESCC(C)n1cc(O)c(=O)cc1CN(C)C1CCN(C)CC1
InChIInChI=1S/C16H27N3O2/c1-12(2)19-11-16(21)15(20)9-14(19)10-18(4)13-5-7-17(3)8-6-13/h9,11-13,21H,5-8,10H2,1-4H3
InChIKeyLWYDKZZLZXYYAI-UHFFFAOYSA-N
XLogP1.66
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one?
The IUPAC name of 5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one (CID 82218244) is 5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one?
The canonical SMILES for 5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one is CC(C)n1cc(O)c(=O)cc1CN(C)C1CCN(C)CC1.
What is the InChIKey of 5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one?
The InChIKey is LWYDKZZLZXYYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)19-11-16(21)15(20)9-14(19)10-18(4)13-5-7-17(3)8-6-13/h9,11-13,21H,5-8,10H2,1-4H3.
What are the key properties of 5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one?
5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one has a molecular weight of 293.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 82218244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).