3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine

C11H19NO3 — CID 116986972

IUPAC3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine
SMILESCC12COC(C3CCCNC3)(OC1)OC2
InChIInChI=1S/C11H19NO3/c1-10-6-13-11(14-7-10,15-8-10)9-3-2-4-12-5-9/h9,12H,2-8H2,1H3
InChIKeyLHVMRJKZKJROOF-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.72
Rot. Bonds1

About 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine

3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine (PubChem CID 116986972) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine.

Molecular Properties

Compound Name3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine
PubChem CID116986972
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine
SMILESCC12COC(C3CCCNC3)(OC1)OC2
InChIInChI=1S/C11H19NO3/c1-10-6-13-11(14-7-10,15-8-10)9-3-2-4-12-5-9/h9,12H,2-8H2,1H3
InChIKeyLHVMRJKZKJROOF-UHFFFAOYSA-N
XLogP0.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine
CID 115010708
3,3-dimethyl-1-piperidin-3-ylcyclobutan-1-amine
CID 115016310
1-piperidin-3-ylcyclopropan-1-ol;hydrochloride
CID 127264219
(5S)-3,5-dimethyl-5-[(3S)-piperidin-3-yl]-1,3-oxazolidin-2-one
CID 171842990
3-(3,7-dimethyl-1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine
CID 115062952
3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid
CID 115029169
3-[3-(3,4-dimethylphenyl)oxetan-3-yl]piperidine
CID 116870954
methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate
CID 124547745
trimethyl(piperidin-3-yl)silane
CID 121210461
dimethyl(piperidin-3-yl)phosphane;ethane
CID 145388856
3-[(4-fluorophenyl)methyl]-4-methyl-4-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115064284
5,5-dimethyl-2-(piperidin-3-ylmethyl)-1,3-oxazolidine
CID 117228935

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine?
The IUPAC name of 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine (CID 116986972) is 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine.
What is the SMILES notation for 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine?
The canonical SMILES for 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine is CC12COC(C3CCCNC3)(OC1)OC2.
What is the InChIKey of 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine?
The InChIKey is LHVMRJKZKJROOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10-6-13-11(14-7-10,15-8-10)9-3-2-4-12-5-9/h9,12H,2-8H2,1H3.
What are the key properties of 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine?
3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine has a molecular weight of 213.28 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine is sourced from PubChem (CID 116986972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).