(2S,3S)-2-methyl-3-(trifluoromethyl)piperazine

C6H11F3N2 — CID 138991310

IUPAC(2S,3S)-2-methyl-3-(trifluoromethyl)piperazine
SMILESC[C@@H]1NCCN[C@@H]1C(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-4-5(6(7,8)9)11-3-2-10-4/h4-5,10-11H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyAUJABXPYMJQODY-WHFBIAKZSA-N
MW168.16 g/mol
LogP0.50
Rot. Bonds

About (2S,3S)-2-methyl-3-(trifluoromethyl)piperazine

(2S,3S)-2-methyl-3-(trifluoromethyl)piperazine (PubChem CID 138991310) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-(trifluoromethyl)piperazine
PubChem CID138991310
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name(2S,3S)-2-methyl-3-(trifluoromethyl)piperazine
SMILESC[C@@H]1NCCN[C@@H]1C(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-4-5(6(7,8)9)11-3-2-10-4/h4-5,10-11H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyAUJABXPYMJQODY-WHFBIAKZSA-N
XLogP0.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-3-methylpiperazine
CID 116829179
3-methyl-2-(trifluoromethyl)pyrrolidine
CID 82595109
(2S,3S)-2,3-dimethylpiperazine
CID 51614849
(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidine
CID 98041373
(2S,3R)-2-methyl-3-(trifluoromethyl)piperidine
CID 95366782
[(2S,3R)-3-methylpiperazin-2-yl]methanol
CID 125425294
trans-(2S,3S)-2,3-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 10893941
2-(trifluoromethyl)imidazolidine;hydrochloride
CID 174747202
2-tert-butyl-3-(trifluoromethyl)pyrrolidine
CID 176601473
(2S,3R)-3-fluoro-2-(trifluoromethyl)piperidine;hydrochloride
CID 162342228
3-chloro-2-(trifluoromethyl)piperidine
CID 141294308
methyl 2-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 105450407

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-(trifluoromethyl)piperazine?
The IUPAC name of (2S,3S)-2-methyl-3-(trifluoromethyl)piperazine (CID 138991310) is (2S,3S)-2-methyl-3-(trifluoromethyl)piperazine.
What is the SMILES notation for (2S,3S)-2-methyl-3-(trifluoromethyl)piperazine?
The canonical SMILES for (2S,3S)-2-methyl-3-(trifluoromethyl)piperazine is C[C@@H]1NCCN[C@@H]1C(F)(F)F.
What is the InChIKey of (2S,3S)-2-methyl-3-(trifluoromethyl)piperazine?
The InChIKey is AUJABXPYMJQODY-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-4-5(6(7,8)9)11-3-2-10-4/h4-5,10-11H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-3-(trifluoromethyl)piperazine?
(2S,3S)-2-methyl-3-(trifluoromethyl)piperazine has a molecular weight of 168.16 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-(trifluoromethyl)piperazine is sourced from PubChem (CID 138991310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).