1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine

C13H28N2 — CID 122645241

IUPAC1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
SMILESCCC(C)N1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C13H28N2/c1-6-12(2)15-9-7-14(8-10-15)11-13(3,4)5/h12H,6-11H2,1-5H3
InChIKeyMCCRWJUMUZAHNI-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.45
Rot. Bonds3

About 1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine

1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine (PubChem CID 122645241) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
PubChem CID122645241
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
SMILESCCC(C)N1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C13H28N2/c1-6-12(2)15-9-7-14(8-10-15)11-13(3,4)5/h12H,6-11H2,1-5H3
InChIKeyMCCRWJUMUZAHNI-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine?
The IUPAC name of 1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine (CID 122645241) is 1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine.
What is the SMILES notation for 1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine?
The canonical SMILES for 1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine is CCC(C)N1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine?
The InChIKey is MCCRWJUMUZAHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-12(2)15-9-7-14(8-10-15)11-13(3,4)5/h12H,6-11H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine?
1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine has a molecular weight of 212.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine is sourced from PubChem (CID 122645241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).