4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine

C11H18N2O — CID 121257609

IUPAC4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine
SMILESCC1=CNCC(CN2CCOCC2)=C1
InChIInChI=1S/C11H18N2O/c1-10-6-11(8-12-7-10)9-13-2-4-14-5-3-13/h6-7,12H,2-5,8-9H2,1H3
InChIKeyIMZNENRNXGKZMH-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.75
Rot. Bonds2

About 4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine

4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine (PubChem CID 121257609) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine
PubChem CID121257609
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine
SMILESCC1=CNCC(CN2CCOCC2)=C1
InChIInChI=1S/C11H18N2O/c1-10-6-11(8-12-7-10)9-13-2-4-14-5-3-13/h6-7,12H,2-5,8-9H2,1H3
InChIKeyIMZNENRNXGKZMH-UHFFFAOYSA-N
XLogP0.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine?
The IUPAC name of 4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine (CID 121257609) is 4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine is CC1=CNCC(CN2CCOCC2)=C1.
What is the InChIKey of 4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine?
The InChIKey is IMZNENRNXGKZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10-6-11(8-12-7-10)9-13-2-4-14-5-3-13/h6-7,12H,2-5,8-9H2,1H3.
What are the key properties of 4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine?
4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine has a molecular weight of 194.28 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-dihydropyridin-3-yl)methyl]morpholine is sourced from PubChem (CID 121257609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).