1-methyl-4-(oxetan-3-yl)piperazine

C8H16N2O — CID 89116379

IUPAC1-methyl-4-(oxetan-3-yl)piperazine
SMILESCN1CCN(C2COC2)CC1
InChIInChI=1S/C8H16N2O/c1-9-2-4-10(5-3-9)8-6-11-7-8/h8H,2-7H2,1H3
InChIKeyARSFCJSNOPPWDH-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.37
Rot. Bonds1

About 1-methyl-4-(oxetan-3-yl)piperazine

1-methyl-4-(oxetan-3-yl)piperazine (PubChem CID 89116379) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-methyl-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(oxetan-3-yl)piperazine
PubChem CID89116379
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-methyl-4-(oxetan-3-yl)piperazine
SMILESCN1CCN(C2COC2)CC1
InChIInChI=1S/C8H16N2O/c1-9-2-4-10(5-3-9)8-6-11-7-8/h8H,2-7H2,1H3
InChIKeyARSFCJSNOPPWDH-UHFFFAOYSA-N
XLogP-0.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-methyl-4-(oxetan-3-yl)piperazine (CID 89116379) is 1-methyl-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-methyl-4-(oxetan-3-yl)piperazine is CN1CCN(C2COC2)CC1.
What is the InChIKey of 1-methyl-4-(oxetan-3-yl)piperazine?
The InChIKey is ARSFCJSNOPPWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-9-2-4-10(5-3-9)8-6-11-7-8/h8H,2-7H2,1H3.
What are the key properties of 1-methyl-4-(oxetan-3-yl)piperazine?
1-methyl-4-(oxetan-3-yl)piperazine has a molecular weight of 156.23 g/mol, XLogP of -0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 89116379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).