[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone

C13H18N2O3 — CID 81208343

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC(CO)OCC2C)n1
InChIInChI=1S/C13H18N2O3/c1-9-4-3-5-12(14-9)13(17)15-6-11(7-16)18-8-10(15)2/h3-5,10-11,16H,6-8H2,1-2H3
InChIKeyHIDJSAWKEIVYDC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.61
Rot. Bonds2

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 81208343) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID81208343
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC(CO)OCC2C)n1
InChIInChI=1S/C13H18N2O3/c1-9-4-3-5-12(14-9)13(17)15-6-11(7-16)18-8-10(15)2/h3-5,10-11,16H,6-8H2,1-2H3
InChIKeyHIDJSAWKEIVYDC-UHFFFAOYSA-N
XLogP0.61
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone (CID 81208343) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CC(CO)OCC2C)n1.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is HIDJSAWKEIVYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-4-3-5-12(14-9)13(17)15-6-11(7-16)18-8-10(15)2/h3-5,10-11,16H,6-8H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 81208343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).