2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine

C13H26N2O — CID 104594775

IUPAC2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine
SMILESCCC1CN(CC2(C)CCCCN2)CCO1
InChIInChI=1S/C13H26N2O/c1-3-12-10-15(8-9-16-12)11-13(2)6-4-5-7-14-13/h12,14H,3-11H2,1-2H3
InChIKeyXTRYIORPIPZOIN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds3

About 2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine

2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine (PubChem CID 104594775) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine
PubChem CID104594775
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine
SMILESCCC1CN(CC2(C)CCCCN2)CCO1
InChIInChI=1S/C13H26N2O/c1-3-12-10-15(8-9-16-12)11-13(2)6-4-5-7-14-13/h12,14H,3-11H2,1-2H3
InChIKeyXTRYIORPIPZOIN-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine?
The IUPAC name of 2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine (CID 104594775) is 2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine.
What is the SMILES notation for 2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine?
The canonical SMILES for 2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine is CCC1CN(CC2(C)CCCCN2)CCO1.
What is the InChIKey of 2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine?
The InChIKey is XTRYIORPIPZOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-12-10-15(8-9-16-12)11-13(2)6-4-5-7-14-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine?
2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine is sourced from PubChem (CID 104594775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).