1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one

C12H22N2O2 — CID 6933438

IUPAC1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one
SMILESC[C@@H]1CN(CN2CCCCC2=O)C[C@@H](C)O1
InChIInChI=1S/C12H22N2O2/c1-10-7-13(8-11(2)16-10)9-14-6-4-3-5-12(14)15/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyLADXOBIJTKLILR-GHMZBOCLSA-N
MW226.32 g/mol
LogP1.07
Rot. Bonds2

About 1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one

1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one (PubChem CID 6933438) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one
PubChem CID6933438
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one
SMILESC[C@@H]1CN(CN2CCCCC2=O)C[C@@H](C)O1
InChIInChI=1S/C12H22N2O2/c1-10-7-13(8-11(2)16-10)9-14-6-4-3-5-12(14)15/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyLADXOBIJTKLILR-GHMZBOCLSA-N
XLogP1.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515011
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515012
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 55527354
1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one
CID 51081736
2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride
CID 134117838
1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one
CID 12996911
1-prop-2-ynylazocan-2-one
CID 61344680
1-(chloromethyl)azonan-2-one
CID 23348579
1-(2-hydroxy-2-methylpropyl)piperidin-2-one
CID 83816285
(5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one
CID 67157650
1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95145336

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one (CID 6933438) is 1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one is C[C@@H]1CN(CN2CCCCC2=O)C[C@@H](C)O1.
What is the InChIKey of 1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one?
The InChIKey is LADXOBIJTKLILR-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10-7-13(8-11(2)16-10)9-14-6-4-3-5-12(14)15/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one?
1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 6933438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).