[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone

C12H22N2O3 — CID 81203650

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
SMILESCC1COC(CO)CN1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H22N2O3/c1-9-8-17-11(7-15)6-14(9)12(16)10-3-2-4-13-5-10/h9-11,13,15H,2-8H2,1H3/t9?,10-,11?/m0/s1
InChIKeyUXGKUIZYEAVAQJ-YVNMAJEFSA-N
MW242.32 g/mol
LogP-0.41
Rot. Bonds2

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone (PubChem CID 81203650) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
PubChem CID81203650
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
SMILESCC1COC(CO)CN1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H22N2O3/c1-9-8-17-11(7-15)6-14(9)12(16)10-3-2-4-13-5-10/h9-11,13,15H,2-8H2,1H3/t9?,10-,11?/m0/s1
InChIKeyUXGKUIZYEAVAQJ-YVNMAJEFSA-N
XLogP-0.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylmorpholin-4-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119292459
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 104901299
[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 124778318
3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 81209250
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351
[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone
CID 81211556
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
(2,6-dimethylpiperidin-1-yl)-piperidin-3-ylmethanone
CID 18072139
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone
CID 81203509

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone (CID 81203650) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone is CC1COC(CO)CN1C(=O)[C@H]1CCCNC1.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone?
The InChIKey is UXGKUIZYEAVAQJ-YVNMAJEFSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-8-17-11(7-15)6-14(9)12(16)10-3-2-4-13-5-10/h9-11,13,15H,2-8H2,1H3/t9?,10-,11?/m0/s1.
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone has a molecular weight of 242.32 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 81203650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).