3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine

C11H22N2O — CID 130854730

IUPAC3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine
SMILESCC1CN(CC2(C)CCOC2)CCN1
InChIInChI=1S/C11H22N2O/c1-10-7-13(5-4-12-10)8-11(2)3-6-14-9-11/h10,12H,3-9H2,1-2H3
InChIKeyXLPZMPGIRSDJHU-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds2

About 3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine

3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine (PubChem CID 130854730) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine
PubChem CID130854730
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine
SMILESCC1CN(CC2(C)CCOC2)CCN1
InChIInChI=1S/C11H22N2O/c1-10-7-13(5-4-12-10)8-11(2)3-6-14-9-11/h10,12H,3-9H2,1-2H3
InChIKeyXLPZMPGIRSDJHU-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine?
The IUPAC name of 3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine (CID 130854730) is 3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine.
What is the SMILES notation for 3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine?
The canonical SMILES for 3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine is CC1CN(CC2(C)CCOC2)CCN1.
What is the InChIKey of 3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine?
The InChIKey is XLPZMPGIRSDJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10-7-13(5-4-12-10)8-11(2)3-6-14-9-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine?
3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine is sourced from PubChem (CID 130854730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).