[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone

C12H23N3O3 — CID 81203509

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CC(CO)OCC2C)CN1
InChIInChI=1S/C12H23N3O3/c1-8-3-14-11(4-13-8)12(17)15-5-10(6-16)18-7-9(15)2/h8-11,13-14,16H,3-7H2,1-2H3
InChIKeyWSIUEQJEWONFKQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP-1.46
Rot. Bonds2

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone (PubChem CID 81203509) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone
PubChem CID81203509
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CC(CO)OCC2C)CN1
InChIInChI=1S/C12H23N3O3/c1-8-3-14-11(4-13-8)12(17)15-5-10(6-16)18-7-9(15)2/h8-11,13-14,16H,3-7H2,1-2H3
InChIKeyWSIUEQJEWONFKQ-UHFFFAOYSA-N
XLogP-1.46
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 104901299
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 81203650
2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81196297
[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
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762
2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
CID 81204075

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone (CID 81203509) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone is CC1CNC(C(=O)N2CC(CO)OCC2C)CN1.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone?
The InChIKey is WSIUEQJEWONFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8-3-14-11(4-13-8)12(17)15-5-10(6-16)18-7-9(15)2/h8-11,13-14,16H,3-7H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone has a molecular weight of 257.33 g/mol, XLogP of -1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 81203509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).