3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid

C11H22N2O2 — CID 57107260

IUPAC3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid
SMILESCCCC(C)(C)C1CN(C(=O)O)CCN1
InChIInChI=1S/C11H22N2O2/c1-4-5-11(2,3)9-8-13(10(14)15)7-6-12-9/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyXWXOHBSYKOEQOF-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.76
Rot. Bonds3

About 3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid

3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid (PubChem CID 57107260) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid
PubChem CID57107260
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid
SMILESCCCC(C)(C)C1CN(C(=O)O)CCN1
InChIInChI=1S/C11H22N2O2/c1-4-5-11(2,3)9-8-13(10(14)15)7-6-12-9/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyXWXOHBSYKOEQOF-UHFFFAOYSA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid?
The IUPAC name of 3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid (CID 57107260) is 3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid is CCCC(C)(C)C1CN(C(=O)O)CCN1.
What is the InChIKey of 3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid?
The InChIKey is XWXOHBSYKOEQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-5-11(2,3)9-8-13(10(14)15)7-6-12-9/h9,12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid?
3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-2-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 57107260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).