(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C12H16F3N3 — CID 67046038

IUPAC(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC[C@@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H](C)N1
InChIInChI=1S/C12H16F3N3/c1-8-6-18(7-9(2)17-8)11-4-3-10(5-16-11)12(13,14)15/h3-5,8-9,17H,6-7H2,1-2H3/t8-,9+
InChIKeyTTWDXDFXXKXOGZ-DTORHVGOSA-N
MW259.27 g/mol
LogP2.29
Rot. Bonds1

About (3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 67046038) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID67046038
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC[C@@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H](C)N1
InChIInChI=1S/C12H16F3N3/c1-8-6-18(7-9(2)17-8)11-4-3-10(5-16-11)12(13,14)15/h3-5,8-9,17H,6-7H2,1-2H3/t8-,9+
InChIKeyTTWDXDFXXKXOGZ-DTORHVGOSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
CID 91623900
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63721228
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
N-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
CID 165434491
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine
CID 121183769
2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole
CID 171327222
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 77463574
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of (3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 67046038) is (3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for (3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for (3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H](C)N1.
What is the InChIKey of (3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is TTWDXDFXXKXOGZ-DTORHVGOSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-8-6-18(7-9(2)17-8)11-4-3-10(5-16-11)12(13,14)15/h3-5,8-9,17H,6-7H2,1-2H3/t8-,9+.
What are the key properties of (3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 259.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 67046038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).