4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid

C11H22N2O2 — CID 21190997

IUPAC4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid
SMILESCC(C)CCN1CCN(C)CC1C(=O)O
InChIInChI=1S/C11H22N2O2/c1-9(2)4-5-13-7-6-12(3)8-10(13)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyAIVBTANYECJUGD-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.73
Rot. Bonds4

About 4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid

4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid (PubChem CID 21190997) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid
PubChem CID21190997
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid
SMILESCC(C)CCN1CCN(C)CC1C(=O)O
InChIInChI=1S/C11H22N2O2/c1-9(2)4-5-13-7-6-12(3)8-10(13)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyAIVBTANYECJUGD-UHFFFAOYSA-N
XLogP0.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid (CID 21190997) is 4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid is CC(C)CCN1CCN(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid?
The InChIKey is AIVBTANYECJUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)4-5-13-7-6-12(3)8-10(13)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid?
4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 21190997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).