2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one

C14H21NO3 — CID 71591030

IUPAC2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
SMILESCc1cc(=O)c(O)c(CN2C(C)CCCC2C)o1
InChIInChI=1S/C14H21NO3/c1-9-5-4-6-10(2)15(9)8-13-14(17)12(16)7-11(3)18-13/h7,9-10,17H,4-6,8H2,1-3H3
InChIKeyVHEMHWJNNRDCNC-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.42
Rot. Bonds2

About 2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one

2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one (PubChem CID 71591030) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
PubChem CID71591030
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
SMILESCc1cc(=O)c(O)c(CN2C(C)CCCC2C)o1
InChIInChI=1S/C14H21NO3/c1-9-5-4-6-10(2)15(9)8-13-14(17)12(16)7-11(3)18-13/h7,9-10,17H,4-6,8H2,1-3H3
InChIKeyVHEMHWJNNRDCNC-UHFFFAOYSA-N
XLogP2.42
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-(piperidin-1-ylmethyl)-4H-pyran-4-one
CID 71685911
3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)-4H-pyran-4-one
CID 56723680
3-Hydroxy-6-methyl-2-[(2-methyl-1-piperidyl)methyl]pyran-4-one
CID 71591023
3-Hydroxy-6-methyl-2-[(3-methyl-1-piperidyl)methyl]pyran-4-one
CID 71591028
3-Hydroxy-6-methyl-2-[(4-methyl-1-piperidyl)methyl]pyran-4-one
CID 71591029
2-[(3,5-Dimethyl-1-piperidyl)methyl]-3-hydroxy-6-methyl-pyran-4-one
CID 71591031
2-[(5-Ethyl-2-methyl-1-piperidyl)methyl]-3-hydroxy-6-methyl-pyran-4-one
CID 71591032
3-Hydroxy-6-methyl-2-[(4-propyl-1-piperidyl)methyl]pyran-4-one
CID 71591033
3-Hydroxy-2-[(4-hydroxy-1-piperidyl)methyl]-6-methyl-pyran-4-one
CID 71591035
3-Hydroxy-6-methyl-2-[(4-morpholino-1-piperidyl)methyl]pyran-4-one
CID 71591067
3-Hydroxy-6-methyl-2-[(2-propylpiperidin-1-yl)methyl]pyran-4-one
CID 171350587
3-hydroxy-6-(hydroxymethyl)-2-((2-methylpiperidin-1-yl)methyl)-4H-pyran-4-one
CID 16417718

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one (CID 71591030) is 2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one is Cc1cc(=O)c(O)c(CN2C(C)CCCC2C)o1.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
The InChIKey is VHEMHWJNNRDCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-5-4-6-10(2)15(9)8-13-14(17)12(16)7-11(3)18-13/h7,9-10,17H,4-6,8H2,1-3H3.
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one has a molecular weight of 251.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one is sourced from PubChem (CID 71591030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).