5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine

C14H21FN2O — CID 112585694

IUPAC5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine
SMILESCCC1(CC)COC(c2ccc(F)cn2)C(C)N1
InChIInChI=1S/C14H21FN2O/c1-4-14(5-2)9-18-13(10(3)17-14)12-7-6-11(15)8-16-12/h6-8,10,13,17H,4-5,9H2,1-3H3
InChIKeyIRMYGRZCPHQINH-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.83
Rot. Bonds3

About 5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine

5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine (PubChem CID 112585694) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine.

Molecular Properties

Compound Name5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine
PubChem CID112585694
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine
SMILESCCC1(CC)COC(c2ccc(F)cn2)C(C)N1
InChIInChI=1S/C14H21FN2O/c1-4-14(5-2)9-18-13(10(3)17-14)12-7-6-11(15)8-16-12/h6-8,10,13,17H,4-5,9H2,1-3H3
InChIKeyIRMYGRZCPHQINH-UHFFFAOYSA-N
XLogP2.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine?
The IUPAC name of 5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine (CID 112585694) is 5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine.
What is the SMILES notation for 5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine?
The canonical SMILES for 5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine is CCC1(CC)COC(c2ccc(F)cn2)C(C)N1.
What is the InChIKey of 5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine?
The InChIKey is IRMYGRZCPHQINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-14(5-2)9-18-13(10(3)17-14)12-7-6-11(15)8-16-12/h6-8,10,13,17H,4-5,9H2,1-3H3.
What are the key properties of 5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine?
5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine has a molecular weight of 252.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine is sourced from PubChem (CID 112585694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).