1-(2,6-dimethyloxan-4-yl)piperidin-4-one

C12H21NO2 — CID 164664323

IUPAC1-(2,6-dimethyloxan-4-yl)piperidin-4-one
SMILESCC1CC(N2CCC(=O)CC2)CC(C)O1
InChIInChI=1S/C12H21NO2/c1-9-7-11(8-10(2)15-9)13-5-3-12(14)4-6-13/h9-11H,3-8H2,1-2H3
InChIKeyFRZJYUXNUJTHCP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.61
Rot. Bonds1

About 1-(2,6-dimethyloxan-4-yl)piperidin-4-one

1-(2,6-dimethyloxan-4-yl)piperidin-4-one (PubChem CID 164664323) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2,6-dimethyloxan-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,6-dimethyloxan-4-yl)piperidin-4-one
PubChem CID164664323
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(2,6-dimethyloxan-4-yl)piperidin-4-one
SMILESCC1CC(N2CCC(=O)CC2)CC(C)O1
InChIInChI=1S/C12H21NO2/c1-9-7-11(8-10(2)15-9)13-5-3-12(14)4-6-13/h9-11H,3-8H2,1-2H3
InChIKeyFRZJYUXNUJTHCP-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylcyclohexyl)piperidin-4-one
CID 64738365
1-(oxan-4-yl)piperidin-4-one
CID 43610249
3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione
CID 164802583
1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one
CID 162083212
1-(3-methylcyclopentyl)pyrrolidin-3-one
CID 114546729
1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one
CID 130964873
4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide
CID 71908828
2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid
CID 166692470
1-cyclobutylpyrrolidin-3-one
CID 62416933
1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one
CID 70868148
(2S)-2-ethyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
CID 163815159
5-methyl-3-propan-2-yloxolan-2-one
CID 29717

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyloxan-4-yl)piperidin-4-one?
The IUPAC name of 1-(2,6-dimethyloxan-4-yl)piperidin-4-one (CID 164664323) is 1-(2,6-dimethyloxan-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(2,6-dimethyloxan-4-yl)piperidin-4-one?
The canonical SMILES for 1-(2,6-dimethyloxan-4-yl)piperidin-4-one is CC1CC(N2CCC(=O)CC2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethyloxan-4-yl)piperidin-4-one?
The InChIKey is FRZJYUXNUJTHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-7-11(8-10(2)15-9)13-5-3-12(14)4-6-13/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(2,6-dimethyloxan-4-yl)piperidin-4-one?
1-(2,6-dimethyloxan-4-yl)piperidin-4-one has a molecular weight of 211.30 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyloxan-4-yl)piperidin-4-one is sourced from PubChem (CID 164664323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).