2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine

C15H31N3O — CID 79077325

IUPAC2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine
SMILESCCC1CN(CC2CN(C)CCO2)C(C(C)C)CN1
InChIInChI=1S/C15H31N3O/c1-5-13-9-18(15(8-16-13)12(2)3)11-14-10-17(4)6-7-19-14/h12-16H,5-11H2,1-4H3
InChIKeyKGOBZNVJSLSGTE-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds4

About 2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine

2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine (PubChem CID 79077325) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine
PubChem CID79077325
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine
SMILESCCC1CN(CC2CN(C)CCO2)C(C(C)C)CN1
InChIInChI=1S/C15H31N3O/c1-5-13-9-18(15(8-16-13)12(2)3)11-14-10-17(4)6-7-19-14/h12-16H,5-11H2,1-4H3
InChIKeyKGOBZNVJSLSGTE-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 114516829
1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 116524491
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
5-ethyl-1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64948246
5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
CID 64942232
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740
1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
CID 64838582
2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-4-methylmorpholine
CID 79182793
5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106732978
1-(oxolan-2-ylmethyl)-2,5-di(propan-2-yl)piperazine
CID 64839224
2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine
CID 64843292
1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 103141224

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine?
The IUPAC name of 2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine (CID 79077325) is 2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine?
The canonical SMILES for 2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine is CCC1CN(CC2CN(C)CCO2)C(C(C)C)CN1.
What is the InChIKey of 2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine?
The InChIKey is KGOBZNVJSLSGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-13-9-18(15(8-16-13)12(2)3)11-14-10-17(4)6-7-19-14/h12-16H,5-11H2,1-4H3.
What are the key properties of 2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine?
2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine is sourced from PubChem (CID 79077325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).