5,6-dimethyl-4-piperidin-1-ylpyran-2-one

C12H17NO2 — CID 121011091

IUPAC5,6-dimethyl-4-piperidin-1-ylpyran-2-one
SMILESCc1oc(=O)cc(N2CCCCC2)c1C
InChIInChI=1S/C12H17NO2/c1-9-10(2)15-12(14)8-11(9)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3
InChIKeyXZMBIZBKJVPXCO-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.25
Rot. Bonds1

About 5,6-dimethyl-4-piperidin-1-ylpyran-2-one

5,6-dimethyl-4-piperidin-1-ylpyran-2-one (PubChem CID 121011091) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5,6-dimethyl-4-piperidin-1-ylpyran-2-one.

Molecular Properties

Compound Name5,6-dimethyl-4-piperidin-1-ylpyran-2-one
PubChem CID121011091
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5,6-dimethyl-4-piperidin-1-ylpyran-2-one
SMILESCc1oc(=O)cc(N2CCCCC2)c1C
InChIInChI=1S/C12H17NO2/c1-9-10(2)15-12(14)8-11(9)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3
InChIKeyXZMBIZBKJVPXCO-UHFFFAOYSA-N
XLogP2.25
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
5-(azepane-1-carbonyl)-4,6-dimethylpyran-2-one
CID 918943
2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one
CID 56956701
2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one
CID 56956863
1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine
CID 86233327
2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline
CID 91672020
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750
6-(4-methylphenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
CID 11558406
1-(2-ethyl-4-methylphenyl)piperidine
CID 90278771
3-(azepan-1-yl)-4-methylbenzoic acid
CID 79686827
4-methyl-2-piperidin-1-ylbenzoic acid
CID 62710167
1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine
CID 168515392

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-piperidin-1-ylpyran-2-one?
The IUPAC name of 5,6-dimethyl-4-piperidin-1-ylpyran-2-one (CID 121011091) is 5,6-dimethyl-4-piperidin-1-ylpyran-2-one.
What is the SMILES notation for 5,6-dimethyl-4-piperidin-1-ylpyran-2-one?
The canonical SMILES for 5,6-dimethyl-4-piperidin-1-ylpyran-2-one is Cc1oc(=O)cc(N2CCCCC2)c1C.
What is the InChIKey of 5,6-dimethyl-4-piperidin-1-ylpyran-2-one?
The InChIKey is XZMBIZBKJVPXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-10(2)15-12(14)8-11(9)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3.
What are the key properties of 5,6-dimethyl-4-piperidin-1-ylpyran-2-one?
5,6-dimethyl-4-piperidin-1-ylpyran-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-piperidin-1-ylpyran-2-one is sourced from PubChem (CID 121011091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).