1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine

C12H24N2O — CID 123395276

IUPAC1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine
SMILESCCC(C)N1CCN(C2COC2)CC1C
InChIInChI=1S/C12H24N2O/c1-4-10(2)14-6-5-13(7-11(14)3)12-8-15-9-12/h10-12H,4-9H2,1-3H3
InChIKeyAKLQWOAUSIJYNE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds3

About 1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine

1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine (PubChem CID 123395276) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine
PubChem CID123395276
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine
SMILESCCC(C)N1CCN(C2COC2)CC1C
InChIInChI=1S/C12H24N2O/c1-4-10(2)14-6-5-13(7-11(14)3)12-8-15-9-12/h10-12H,4-9H2,1-3H3
InChIKeyAKLQWOAUSIJYNE-UHFFFAOYSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine (CID 123395276) is 1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine is CCC(C)N1CCN(C2COC2)CC1C.
What is the InChIKey of 1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine?
The InChIKey is AKLQWOAUSIJYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-10(2)14-6-5-13(7-11(14)3)12-8-15-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine?
1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine has a molecular weight of 212.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 123395276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).