4-methyloxane;1-methylpiperazine

C11H24N2O — CID 142249356

IUPAC4-methyloxane;1-methylpiperazine
SMILESCC1CCOCC1.CN1CCNCC1
InChIInChI=1S/C6H12O.C5H12N2/c1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7/h2*6H,2-5H2,1H3
InChIKeyOYUFNVQQXREFLM-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.95
Rot. Bonds

About 4-methyloxane;1-methylpiperazine

4-methyloxane;1-methylpiperazine (PubChem CID 142249356) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-methyloxane;1-methylpiperazine.

Molecular Properties

Compound Name4-methyloxane;1-methylpiperazine
PubChem CID142249356
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-methyloxane;1-methylpiperazine
SMILESCC1CCOCC1.CN1CCNCC1
InChIInChI=1S/C6H12O.C5H12N2/c1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7/h2*6H,2-5H2,1H3
InChIKeyOYUFNVQQXREFLM-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyloxane;1-methylpiperazine?
The IUPAC name of 4-methyloxane;1-methylpiperazine (CID 142249356) is 4-methyloxane;1-methylpiperazine.
What is the SMILES notation for 4-methyloxane;1-methylpiperazine?
The canonical SMILES for 4-methyloxane;1-methylpiperazine is CC1CCOCC1.CN1CCNCC1.
What is the InChIKey of 4-methyloxane;1-methylpiperazine?
The InChIKey is OYUFNVQQXREFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H12N2/c1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7/h2*6H,2-5H2,1H3.
What are the key properties of 4-methyloxane;1-methylpiperazine?
4-methyloxane;1-methylpiperazine has a molecular weight of 200.33 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloxane;1-methylpiperazine is sourced from PubChem (CID 142249356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).