(2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone

C12H22N2O2 — CID 81123196

IUPAC(2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone
SMILESCC1CN(C(=O)[C@H]2CCCNC2)CC(C)O1
InChIInChI=1S/C12H22N2O2/c1-9-7-14(8-10(2)16-9)12(15)11-4-3-5-13-6-11/h9-11,13H,3-8H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyHYWBZZHJNKSENM-ILDUYXDCSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone (PubChem CID 81123196) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone
PubChem CID81123196
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone
SMILESCC1CN(C(=O)[C@H]2CCCNC2)CC(C)O1
InChIInChI=1S/C12H22N2O2/c1-9-7-14(8-10(2)16-9)12(15)11-4-3-5-13-6-11/h9-11,13H,3-8H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyHYWBZZHJNKSENM-ILDUYXDCSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone with MolForge

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Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-piperidin-3-ylmethanone
CID 103840886
(2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119669803
(2-ethyl-6-methylmorpholin-4-yl)-piperidin-3-ylmethanone
CID 119304830
(2-methyl-1,4-oxazepan-4-yl)-[(3S)-piperidin-3-yl]methanone
CID 81141316
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl(piperidin-3-yl)methanone;hydrochloride
CID 119335062
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-piperidin-3-ylmethanone;hydrochloride
CID 154911024
cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 124552883
(2,5-dimethylmorpholin-4-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119292459
(2,6-dimethylpiperidin-1-yl)-piperidin-3-ylmethanone
CID 18072139

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone (CID 81123196) is (2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone is CC1CN(C(=O)[C@H]2CCCNC2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone?
The InChIKey is HYWBZZHJNKSENM-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-7-14(8-10(2)16-9)12(15)11-4-3-5-13-6-11/h9-11,13H,3-8H2,1-2H3/t9?,10?,11-/m0/s1.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 81123196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).