1-[(4-methyloxan-4-yl)methyl]piperazine

C11H22N2O — CID 82505885

IUPAC1-[(4-methyloxan-4-yl)methyl]piperazine
SMILESCC1(CN2CCNCC2)CCOCC1
InChIInChI=1S/C11H22N2O/c1-11(2-8-14-9-3-11)10-13-6-4-12-5-7-13/h12H,2-10H2,1H3
InChIKeyXTUOCZZDFUILTK-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds2

About 1-[(4-methyloxan-4-yl)methyl]piperazine

1-[(4-methyloxan-4-yl)methyl]piperazine (PubChem CID 82505885) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(4-methyloxan-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methyloxan-4-yl)methyl]piperazine
PubChem CID82505885
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(4-methyloxan-4-yl)methyl]piperazine
SMILESCC1(CN2CCNCC2)CCOCC1
InChIInChI=1S/C11H22N2O/c1-11(2-8-14-9-3-11)10-13-6-4-12-5-7-13/h12H,2-10H2,1H3
InChIKeyXTUOCZZDFUILTK-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 1-[(4-methyloxan-4-yl)methyl]piperazine?
The IUPAC name of 1-[(4-methyloxan-4-yl)methyl]piperazine (CID 82505885) is 1-[(4-methyloxan-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methyloxan-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-methyloxan-4-yl)methyl]piperazine is CC1(CN2CCNCC2)CCOCC1.
What is the InChIKey of 1-[(4-methyloxan-4-yl)methyl]piperazine?
The InChIKey is XTUOCZZDFUILTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2-8-14-9-3-11)10-13-6-4-12-5-7-13/h12H,2-10H2,1H3.
What are the key properties of 1-[(4-methyloxan-4-yl)methyl]piperazine?
1-[(4-methyloxan-4-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 1-[(4-methyloxan-4-yl)methyl]piperazine is sourced from PubChem (CID 82505885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).