1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C11H14F3N3 — CID 829355

IUPAC1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14F3N3/c1-16-4-6-17(7-5-16)10-3-2-9(8-15-10)11(12,13)14/h2-3,8H,4-7H2,1H3
InChIKeyBOIFDXWRPSEUMD-UHFFFAOYSA-N
MW245.25 g/mol
LogP1.85
Rot. Bonds1

About 1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 829355) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID829355
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14F3N3/c1-16-4-6-17(7-5-16)10-3-2-9(8-15-10)11(12,13)14/h2-3,8H,4-7H2,1H3
InChIKeyBOIFDXWRPSEUMD-UHFFFAOYSA-N
XLogP1.85
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole
CID 171327222
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 26601789
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2760779
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 829355) is 1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is CN1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is BOIFDXWRPSEUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-16-4-6-17(7-5-16)10-3-2-9(8-15-10)11(12,13)14/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 245.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 829355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).