[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone

C12H22N2O3 — CID 81218847

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
SMILESCC1COC(CO)CN1C(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-10-9-17-11(8-15)7-14(10)12(16)13-5-3-2-4-6-13/h10-11,15H,2-9H2,1H3
InChIKeyOFXDLIKQYGKIMQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.67
Rot. Bonds1

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone (PubChem CID 81218847) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
PubChem CID81218847
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
SMILESCC1COC(CO)CN1C(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-10-9-17-11(8-15)7-14(10)12(16)13-5-3-2-4-6-13/h10-11,15H,2-9H2,1H3
InChIKeyOFXDLIKQYGKIMQ-UHFFFAOYSA-N
XLogP0.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 81209250
2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid
CID 81198516
2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid
CID 81204512
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 81204286
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
[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-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone (CID 81218847) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone is CC1COC(CO)CN1C(=O)N1CCCCC1.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is OFXDLIKQYGKIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10-9-17-11(8-15)7-14(10)12(16)13-5-3-2-4-6-13/h10-11,15H,2-9H2,1H3.
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 242.32 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 81218847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).