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

C11H22N2O — CID 138525302

IUPAC1-butan-2-yl-4-(oxetan-3-yl)piperazine
SMILESCCC(C)N1CCN(C2COC2)CC1
InChIInChI=1S/C11H22N2O/c1-3-10(2)12-4-6-13(7-5-12)11-8-14-9-11/h10-11H,3-9H2,1-2H3
InChIKeyWHPABMSPFLXZFY-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds3

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

1-butan-2-yl-4-(oxetan-3-yl)piperazine (PubChem CID 138525302) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-butan-2-yl-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-(oxetan-3-yl)piperazine
PubChem CID138525302
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-butan-2-yl-4-(oxetan-3-yl)piperazine
SMILESCCC(C)N1CCN(C2COC2)CC1
InChIInChI=1S/C11H22N2O/c1-3-10(2)12-4-6-13(7-5-12)11-8-14-9-11/h10-11H,3-9H2,1-2H3
InChIKeyWHPABMSPFLXZFY-UHFFFAOYSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.80
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-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-butan-2-yl-4-(oxetan-3-yl)piperazine (CID 138525302) is 1-butan-2-yl-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-butan-2-yl-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-butan-2-yl-4-(oxetan-3-yl)piperazine is CCC(C)N1CCN(C2COC2)CC1.
What is the InChIKey of 1-butan-2-yl-4-(oxetan-3-yl)piperazine?
The InChIKey is WHPABMSPFLXZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-10(2)12-4-6-13(7-5-12)11-8-14-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(oxetan-3-yl)piperazine?
1-butan-2-yl-4-(oxetan-3-yl)piperazine has a molecular weight of 198.31 g/mol, XLogP of 0.80, 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-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 138525302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).