(2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid

C7H11F3N2O3 — CID 175159453

IUPAC(2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNC[C@H]1COC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)15-4-5-3-11-1-2-12(5)6(13)14/h5,11H,1-4H2,(H,13,14)/t5-/m0/s1
InChIKeyITRAWRGLBOHPAR-YFKPBYRVSA-N
MW228.17 g/mol
LogP0.47
Rot. Bonds2

About (2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid

(2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid (PubChem CID 175159453) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is (2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid
PubChem CID175159453
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name(2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNC[C@H]1COC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)15-4-5-3-11-1-2-12(5)6(13)14/h5,11H,1-4H2,(H,13,14)/t5-/m0/s1
InChIKeyITRAWRGLBOHPAR-YFKPBYRVSA-N
XLogP0.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649453
(2R)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649395
2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid
CID 22629585
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
2-ethyl-1,4-diazepane-1-carboxylic acid
CID 68851233
2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid
CID 174210652
2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone
CID 59815617
tert-butyl 2-prop-2-ynylpiperazine-1-carboxylate
CID 141100068
2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 175896251
acetic acid;azane;1,2-diethylpiperazine
CID 174720092
2-(hydroxymethyl)piperazine-1-carboxamide
CID 175982295
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid?
The IUPAC name of (2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid (CID 175159453) is (2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid is O=C(O)N1CCNC[C@H]1COC(F)(F)F.
What is the InChIKey of (2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid?
The InChIKey is ITRAWRGLBOHPAR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c8-7(9,10)15-4-5-3-11-1-2-12(5)6(13)14/h5,11H,1-4H2,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid?
(2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid has a molecular weight of 228.17 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 175159453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).