2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine

C12H22N2O — CID 116874099

IUPAC2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine
SMILESCN1CCNCC1C1(C2CCC2)COC1
InChIInChI=1S/C12H22N2O/c1-14-6-5-13-7-11(14)12(8-15-9-12)10-3-2-4-10/h10-11,13H,2-9H2,1H3
InChIKeyPZBOHHXCKISYMH-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.71
Rot. Bonds2

About 2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine

2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine (PubChem CID 116874099) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine.

Molecular Properties

Compound Name2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine
PubChem CID116874099
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine
SMILESCN1CCNCC1C1(C2CCC2)COC1
InChIInChI=1S/C12H22N2O/c1-14-6-5-13-7-11(14)12(8-15-9-12)10-3-2-4-10/h10-11,13H,2-9H2,1H3
InChIKeyPZBOHHXCKISYMH-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine?
The IUPAC name of 2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine (CID 116874099) is 2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine.
What is the SMILES notation for 2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine?
The canonical SMILES for 2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine is CN1CCNCC1C1(C2CCC2)COC1.
What is the InChIKey of 2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine?
The InChIKey is PZBOHHXCKISYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-14-6-5-13-7-11(14)12(8-15-9-12)10-3-2-4-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine?
2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine has a molecular weight of 210.32 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 2-(3-cyclobutyloxetan-3-yl)-1-methylpiperazine is sourced from PubChem (CID 116874099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).