2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine

C15H31N3O — CID 79078121

IUPAC2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine
SMILESCCC1(CC)CN(CC2CN(C)CCO2)C(C)CN1
InChIInChI=1S/C15H31N3O/c1-5-15(6-2)12-18(13(3)9-16-15)11-14-10-17(4)7-8-19-14/h13-14,16H,5-12H2,1-4H3
InChIKeyXBOANHCMPVDISE-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.17
Rot. Bonds4

About 2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine

2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine (PubChem CID 79078121) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine
PubChem CID79078121
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine
SMILESCCC1(CC)CN(CC2CN(C)CCO2)C(C)CN1
InChIInChI=1S/C15H31N3O/c1-5-15(6-2)12-18(13(3)9-16-15)11-14-10-17(4)7-8-19-14/h13-14,16H,5-12H2,1-4H3
InChIKeyXBOANHCMPVDISE-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine
CID 64947875
5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901650
5,5-diethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64862336
2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-4-methylmorpholine
CID 79182793
2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine
CID 79077325
5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64860416
1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile
CID 79183062
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-N-propylpiperidin-4-amine
CID 79071844
N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-2-carboximidamide
CID 79171436
5,5-diethyl-2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64860997
[3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788230
ethane;2-ethyl-4-methylmorpholine;methane
CID 178051294

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine?
The IUPAC name of 2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine (CID 79078121) is 2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine?
The canonical SMILES for 2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine is CCC1(CC)CN(CC2CN(C)CCO2)C(C)CN1.
What is the InChIKey of 2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine?
The InChIKey is XBOANHCMPVDISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-15(6-2)12-18(13(3)9-16-15)11-14-10-17(4)7-8-19-14/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine?
2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine has a molecular weight of 269.43 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine is sourced from PubChem (CID 79078121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).