2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine

C13H24N2O — CID 116874182

IUPAC2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine
SMILESCN1CCNCC1CC1(C2CCC2)COC1
InChIInChI=1S/C13H24N2O/c1-15-6-5-14-8-12(15)7-13(9-16-10-13)11-3-2-4-11/h11-12,14H,2-10H2,1H3
InChIKeySQIBISUZNZLUOW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.10
Rot. Bonds3

About 2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine

2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine (PubChem CID 116874182) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine.

Molecular Properties

Compound Name2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine
PubChem CID116874182
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine
SMILESCN1CCNCC1CC1(C2CCC2)COC1
InChIInChI=1S/C13H24N2O/c1-15-6-5-14-8-12(15)7-13(9-16-10-13)11-3-2-4-11/h11-12,14H,2-10H2,1H3
InChIKeySQIBISUZNZLUOW-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine
CID 116874099
1-[2-(3-cyclobutyloxetan-3-yl)ethyl]piperazine
CID 116873120
1-[1-(3-cyclobutyloxetan-3-yl)propan-2-yl]piperazine
CID 116875640
1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine
CID 116874177
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine
CID 116874155
1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone
CID 116920123
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
ethane;(1-methylpiperazin-2-yl)methanethiol
CID 171068891
N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 115238395
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine?
The IUPAC name of 2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine (CID 116874182) is 2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine.
What is the SMILES notation for 2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine?
The canonical SMILES for 2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine is CN1CCNCC1CC1(C2CCC2)COC1.
What is the InChIKey of 2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine?
The InChIKey is SQIBISUZNZLUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-15-6-5-14-8-12(15)7-13(9-16-10-13)11-3-2-4-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine?
2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine has a molecular weight of 224.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine is sourced from PubChem (CID 116874182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).