(2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine

C8H15F3N2 — CID 166870881

IUPAC(2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine
SMILESC[C@H]1CN(C(F)(F)F)[C@@H](C)CN1C
InChIInChI=1S/C8H15F3N2/c1-6-5-13(8(9,10)11)7(2)4-12(6)3/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyOSTHPCQJCJFVAJ-BQBZGAKWSA-N
MW196.22 g/mol
LogP1.53
Rot. Bonds

About (2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine

(2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine (PubChem CID 166870881) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name(2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine
PubChem CID166870881
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name(2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine
SMILESC[C@H]1CN(C(F)(F)F)[C@@H](C)CN1C
InChIInChI=1S/C8H15F3N2/c1-6-5-13(8(9,10)11)7(2)4-12(6)3/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyOSTHPCQJCJFVAJ-BQBZGAKWSA-N
XLogP1.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine?
The IUPAC name of (2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine (CID 166870881) is (2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine.
What is the SMILES notation for (2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine?
The canonical SMILES for (2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine is C[C@H]1CN(C(F)(F)F)[C@@H](C)CN1C.
What is the InChIKey of (2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine?
The InChIKey is OSTHPCQJCJFVAJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-6-5-13(8(9,10)11)7(2)4-12(6)3/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine?
(2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine has a molecular weight of 196.22 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 166870881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).