methane;1-(oxetan-3-yl)piperazine

C8H18N2O — CID 144680039

IUPACmethane;1-(oxetan-3-yl)piperazine
SMILESC.C1CN(C2COC2)CCN1
InChIInChI=1S/C7H14N2O.CH4/c1-3-9(4-2-8-1)7-5-10-6-7;/h7-8H,1-6H2;1H4
InChIKeyCBVCFHFNTBJIBX-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.07
Rot. Bonds1

About methane;1-(oxetan-3-yl)piperazine

methane;1-(oxetan-3-yl)piperazine (PubChem CID 144680039) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is methane;1-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Namemethane;1-(oxetan-3-yl)piperazine
PubChem CID144680039
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Namemethane;1-(oxetan-3-yl)piperazine
SMILESC.C1CN(C2COC2)CCN1
InChIInChI=1S/C7H14N2O.CH4/c1-3-9(4-2-8-1)7-5-10-6-7;/h7-8H,1-6H2;1H4
InChIKeyCBVCFHFNTBJIBX-UHFFFAOYSA-N
XLogP-0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;1-(oxetan-3-yl)piperazine?
The IUPAC name of methane;1-(oxetan-3-yl)piperazine (CID 144680039) is methane;1-(oxetan-3-yl)piperazine.
What is the SMILES notation for methane;1-(oxetan-3-yl)piperazine?
The canonical SMILES for methane;1-(oxetan-3-yl)piperazine is C.C1CN(C2COC2)CCN1.
What is the InChIKey of methane;1-(oxetan-3-yl)piperazine?
The InChIKey is CBVCFHFNTBJIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.CH4/c1-3-9(4-2-8-1)7-5-10-6-7;/h7-8H,1-6H2;1H4.
What are the key properties of methane;1-(oxetan-3-yl)piperazine?
methane;1-(oxetan-3-yl)piperazine has a molecular weight of 158.25 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(oxetan-3-yl)piperazine is sourced from PubChem (CID 144680039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).