1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine

C10H18N2O3 — CID 116987011

IUPAC1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine
SMILESCC12COC(N3CCNCC3)(OC1)OC2
InChIInChI=1S/C10H18N2O3/c1-9-6-13-10(14-7-9,15-8-9)12-4-2-11-3-5-12/h11H,2-8H2,1H3
InChIKeyLQAFJRBBQRZKLR-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.41
Rot. Bonds1

About 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine

1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine (PubChem CID 116987011) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine.

Molecular Properties

Compound Name1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine
PubChem CID116987011
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine
SMILESCC12COC(N3CCNCC3)(OC1)OC2
InChIInChI=1S/C10H18N2O3/c1-9-6-13-10(14-7-9,15-8-9)12-4-2-11-3-5-12/h11H,2-8H2,1H3
InChIKeyLQAFJRBBQRZKLR-UHFFFAOYSA-N
XLogP-0.41
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 175957686
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CID 83694598
1-(3-methyl-2H-1,4-benzodioxin-3-yl)piperazine
CID 67780431
2,2,5,5-tetramethyl-3-piperazin-1-yloxolane-3-carbonitrile
CID 79927837
1-(3-ethyloxolan-3-yl)piperazine
CID 131070991
1-(7-methyl-1-tricyclo[4.2.1.03,7]nonanyl)piperazine
CID 166729052
1-(1-propan-2-ylcyclopentyl)piperazine
CID 83818772
3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile
CID 80705616
3,3-dimethyl-2,4-dioxa-9-azaspiro[5.5]undecane
CID 82655471
alumane;1-methylpiperazine
CID 173336720
ethane;1-methylpiperazine
CID 91350928

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine?
The IUPAC name of 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine (CID 116987011) is 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine.
What is the SMILES notation for 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine?
The canonical SMILES for 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine is CC12COC(N3CCNCC3)(OC1)OC2.
What is the InChIKey of 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine?
The InChIKey is LQAFJRBBQRZKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-9-6-13-10(14-7-9,15-8-9)12-4-2-11-3-5-12/h11H,2-8H2,1H3.
What are the key properties of 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine?
1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine has a molecular weight of 214.26 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperazine is sourced from PubChem (CID 116987011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).