ethane;4-methylmorpholine;1-methylpiperazine

C12H29N3O — CID 143410242

IUPACethane;4-methylmorpholine;1-methylpiperazine
SMILESCC.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C5H12N2.C5H11NO.C2H6/c1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-2/h6H,2-5H2,1H3;2-5H2,1H3;1-2H3
InChIKeyGPUURRWBKJMDFA-UHFFFAOYSA-N
MW231.38 g/mol
LogP0.50
Rot. Bonds

About ethane;4-methylmorpholine;1-methylpiperazine

ethane;4-methylmorpholine;1-methylpiperazine (PubChem CID 143410242) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is ethane;4-methylmorpholine;1-methylpiperazine.

Molecular Properties

Compound Nameethane;4-methylmorpholine;1-methylpiperazine
PubChem CID143410242
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC Nameethane;4-methylmorpholine;1-methylpiperazine
SMILESCC.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C5H12N2.C5H11NO.C2H6/c1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-2/h6H,2-5H2,1H3;2-5H2,1H3;1-2H3
InChIKeyGPUURRWBKJMDFA-UHFFFAOYSA-N
XLogP0.50
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methylpiperazine
CID 91350928
ethane;4-methylmorpholine
CID 54432133
5,11-dimethyl-1-oxa-5,8,11-triazacyclotetradecane
CID 20610192
ethane;methane;1-methylpiperazine
CID 142051303
1,4-dimethylpiperazine;morpholine
CID 157159572
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
1-methylpiperazine;dihydrochloride
CID 2734715
alumane;1-methylpiperazine
CID 173336720
1-methylpiperazine;hydrate
CID 23128681

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylmorpholine;1-methylpiperazine?
The IUPAC name of ethane;4-methylmorpholine;1-methylpiperazine (CID 143410242) is ethane;4-methylmorpholine;1-methylpiperazine.
What is the SMILES notation for ethane;4-methylmorpholine;1-methylpiperazine?
The canonical SMILES for ethane;4-methylmorpholine;1-methylpiperazine is CC.CN1CCNCC1.CN1CCOCC1.
What is the InChIKey of ethane;4-methylmorpholine;1-methylpiperazine?
The InChIKey is GPUURRWBKJMDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C5H11NO.C2H6/c1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-2/h6H,2-5H2,1H3;2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-methylmorpholine;1-methylpiperazine?
ethane;4-methylmorpholine;1-methylpiperazine has a molecular weight of 231.38 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylmorpholine;1-methylpiperazine is sourced from PubChem (CID 143410242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).