2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid

C7H11F3N2O2 — CID 90021728

IUPAC2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid
SMILESCC1CNC(C(F)(F)F)CN1C(=O)O
InChIInChI=1S/C7H11F3N2O2/c1-4-2-11-5(7(8,9)10)3-12(4)6(13)14/h4-5,11H,2-3H2,1H3,(H,13,14)
InChIKeyFJSRQFMXQOJBQN-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.89
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid

2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid (PubChem CID 90021728) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid
PubChem CID90021728
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid
SMILESCC1CNC(C(F)(F)F)CN1C(=O)O
InChIInChI=1S/C7H11F3N2O2/c1-4-2-11-5(7(8,9)10)3-12(4)6(13)14/h4-5,11H,2-3H2,1H3,(H,13,14)
InChIKeyFJSRQFMXQOJBQN-UHFFFAOYSA-N
XLogP0.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid (CID 90021728) is 2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid is CC1CNC(C(F)(F)F)CN1C(=O)O.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid?
The InChIKey is FJSRQFMXQOJBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c1-4-2-11-5(7(8,9)10)3-12(4)6(13)14/h4-5,11H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid?
2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid has a molecular weight of 212.17 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 90021728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).