2,5-dimethyl-1-(oxan-3-yl)piperazine

C11H22N2O — CID 64937625

IUPAC2,5-dimethyl-1-(oxan-3-yl)piperazine
SMILESCC1CN(C2CCCOC2)C(C)CN1
InChIInChI=1S/C11H22N2O/c1-9-7-13(10(2)6-12-9)11-4-3-5-14-8-11/h9-12H,3-8H2,1-2H3
InChIKeyLPFKLLJNTLBRTG-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds1

About 2,5-dimethyl-1-(oxan-3-yl)piperazine

2,5-dimethyl-1-(oxan-3-yl)piperazine (PubChem CID 64937625) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,5-dimethyl-1-(oxan-3-yl)piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-(oxan-3-yl)piperazine
PubChem CID64937625
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2,5-dimethyl-1-(oxan-3-yl)piperazine
SMILESCC1CN(C2CCCOC2)C(C)CN1
InChIInChI=1S/C11H22N2O/c1-9-7-13(10(2)6-12-9)11-4-3-5-14-8-11/h9-12H,3-8H2,1-2H3
InChIKeyLPFKLLJNTLBRTG-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1-(oxepan-4-yl)piperazine
CID 65078858
5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine
CID 64937820
1-cyclopropyl-2,5-dimethylpiperazine
CID 64954280
(2S,5S)-1-cyclopropyl-2,5-dimethylpiperazine;dihydrochloride
CID 162342302
(2R)-2-methyl-1-(oxan-3-yl)piperazine
CID 104973743
2-cyclopropyl-5-methyl-1-(oxolan-3-yl)piperazine
CID 64845693
2,5-dimethyl-1-(1-methylpiperidin-3-yl)piperazine
CID 64936770
2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine
CID 65089178
1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine
CID 65094925
2,5-dimethyl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 64979562
(7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
CID 59215818
5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine
CID 64850127

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(oxan-3-yl)piperazine?
The IUPAC name of 2,5-dimethyl-1-(oxan-3-yl)piperazine (CID 64937625) is 2,5-dimethyl-1-(oxan-3-yl)piperazine.
What is the SMILES notation for 2,5-dimethyl-1-(oxan-3-yl)piperazine?
The canonical SMILES for 2,5-dimethyl-1-(oxan-3-yl)piperazine is CC1CN(C2CCCOC2)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-(oxan-3-yl)piperazine?
The InChIKey is LPFKLLJNTLBRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-7-13(10(2)6-12-9)11-4-3-5-14-8-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(oxan-3-yl)piperazine?
2,5-dimethyl-1-(oxan-3-yl)piperazine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(oxan-3-yl)piperazine is sourced from PubChem (CID 64937625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).