2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone

C13H25N2O2+ — CID 7436746

IUPAC2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone
SMILESC[C@@H]1C[C@H](C)C[NH+](CC(=O)N2CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c1-11-7-12(2)9-14(8-11)10-13(16)15-3-5-17-6-4-15/h11-12H,3-10H2,1-2H3/p+1/t11-,12+
InChIKeyPARNJTTUKNYKRT-TXEJJXNPSA-O
MW241.35 g/mol
LogP-0.59
Rot. Bonds2

About 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone

2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone (PubChem CID 7436746) has the molecular formula C13H25N2O2+ and a molecular weight of 241.35 g/mol. Its IUPAC name is 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone
PubChem CID7436746
Molecular FormulaC13H25N2O2+
Molecular Weight241.35 g/mol
Exact Mass241.19
IUPAC Name2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone
SMILESC[C@@H]1C[C@H](C)C[NH+](CC(=O)N2CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c1-11-7-12(2)9-14(8-11)10-13(16)15-3-5-17-6-4-15/h11-12H,3-10H2,1-2H3/p+1/t11-,12+
InChIKeyPARNJTTUKNYKRT-TXEJJXNPSA-O
XLogP-0.59
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone
CID 7437012
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone
CID 8540286
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone
CID 8690719
2-[(3-methylcyclohexyl)amino]-1-morpholin-4-ylethanone
CID 43317875
ethane;(2-morpholin-4-yl-2-oxoethyl)azanide;yttrium
CID 153399009
2-[methyl-[[(1R,3R)-3-methylcyclopentyl]methyl]amino]-1-morpholin-4-ylethanone
CID 124864588
(2-morpholin-4-yl-2-oxoethyl)azanide;yttrium
CID 176949022
3,3-dimethyl-1-(1,4-oxazepan-4-yl)butan-1-one
CID 58395315
3-methyl-3-(methylamino)-1-morpholin-4-ylbutan-1-one
CID 110838241
(4-methylpiperidin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109132556
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
[(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone
CID 101259719

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone (CID 7436746) is 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone is C[C@@H]1C[C@H](C)C[NH+](CC(=O)N2CCOCC2)C1.
What is the InChIKey of 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is PARNJTTUKNYKRT-TXEJJXNPSA-O. The full InChI is InChI=1S/C13H24N2O2/c1-11-7-12(2)9-14(8-11)10-13(16)15-3-5-17-6-4-15/h11-12H,3-10H2,1-2H3/p+1/t11-,12+.
What are the key properties of 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone?
2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 241.35 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 7436746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).