1-methyl-2-(oxetan-3-yl)piperazine

C8H16N2O — CID 116984957

IUPAC1-methyl-2-(oxetan-3-yl)piperazine
SMILESCN1CCNCC1C1COC1
InChIInChI=1S/C8H16N2O/c1-10-3-2-9-4-8(10)7-5-11-6-7/h7-9H,2-6H2,1H3
InChIKeyUDRCDLNAGQNHRE-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.46
Rot. Bonds1

About 1-methyl-2-(oxetan-3-yl)piperazine

1-methyl-2-(oxetan-3-yl)piperazine (PubChem CID 116984957) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-methyl-2-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-2-(oxetan-3-yl)piperazine
PubChem CID116984957
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-methyl-2-(oxetan-3-yl)piperazine
SMILESCN1CCNCC1C1COC1
InChIInChI=1S/C8H16N2O/c1-10-3-2-9-4-8(10)7-5-11-6-7/h7-9H,2-6H2,1H3
InChIKeyUDRCDLNAGQNHRE-UHFFFAOYSA-N
XLogP-0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(oxetan-3-yl)piperazine?
The IUPAC name of 1-methyl-2-(oxetan-3-yl)piperazine (CID 116984957) is 1-methyl-2-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-methyl-2-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-methyl-2-(oxetan-3-yl)piperazine is CN1CCNCC1C1COC1.
What is the InChIKey of 1-methyl-2-(oxetan-3-yl)piperazine?
The InChIKey is UDRCDLNAGQNHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-3-2-9-4-8(10)7-5-11-6-7/h7-9H,2-6H2,1H3.
What are the key properties of 1-methyl-2-(oxetan-3-yl)piperazine?
1-methyl-2-(oxetan-3-yl)piperazine has a molecular weight of 156.23 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(oxetan-3-yl)piperazine is sourced from PubChem (CID 116984957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).