6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one

C13H24N2O2 — CID 117159123

IUPAC6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one
SMILESCCN1CCCCC1CC1(C)CNC(=O)CO1
InChIInChI=1S/C13H24N2O2/c1-3-15-7-5-4-6-11(15)8-13(2)10-14-12(16)9-17-13/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyJHQAJVAMVXHACU-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds3

About 6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one

6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one (PubChem CID 117159123) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one.

Molecular Properties

Compound Name6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one
PubChem CID117159123
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one
SMILESCCN1CCCCC1CC1(C)CNC(=O)CO1
InChIInChI=1S/C13H24N2O2/c1-3-15-7-5-4-6-11(15)8-13(2)10-14-12(16)9-17-13/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyJHQAJVAMVXHACU-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one?
The IUPAC name of 6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one (CID 117159123) is 6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one.
What is the SMILES notation for 6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one?
The canonical SMILES for 6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one is CCN1CCCCC1CC1(C)CNC(=O)CO1.
What is the InChIKey of 6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one?
The InChIKey is JHQAJVAMVXHACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-15-7-5-4-6-11(15)8-13(2)10-14-12(16)9-17-13/h11H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one?
6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one has a molecular weight of 240.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpiperidin-2-yl)methyl]-6-methylmorpholin-3-one is sourced from PubChem (CID 117159123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).