1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine

C10H12F3N3 — CID 19691468

IUPAC1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine
SMILESCN1CCN(c2c(F)cnc(F)c2F)CC1
InChIInChI=1S/C10H12F3N3/c1-15-2-4-16(5-3-15)9-7(11)6-14-10(13)8(9)12/h6H,2-5H2,1H3
InChIKeyXFPXHWXEQOOUNJ-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.25
Rot. Bonds1

About 1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine

1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine (PubChem CID 19691468) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine
PubChem CID19691468
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine
SMILESCN1CCN(c2c(F)cnc(F)c2F)CC1
InChIInChI=1S/C10H12F3N3/c1-15-2-4-16(5-3-15)9-7(11)6-14-10(13)8(9)12/h6H,2-5H2,1H3
InChIKeyXFPXHWXEQOOUNJ-UHFFFAOYSA-N
XLogP1.25
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-Pyridyl)piperazine
CID 70517
1-Methyl-4-(pyridin-3-yl)piperazine
CID 10058072
Piperazine, 1-(3-amino-4-pyridyl)-4-methyl-
CID 203473
4-(4-Methylpiperazino)pyridine
CID 10035151
4-Piperidinopyridine
CID 76002
Pyridinium, 4-(dimethylamino)-1-methyl-
CID 202126
Piperazine, 4-phenyl-1-(4-pyridyl)-
CID 203475
4-(Piperidin-1-yl)pyridin-3-amine
CID 348638
2,3,5-Trifluoropyridin-4-amine
CID 2737746
Piperidine, 1-(2-((3,5-diamino-4-pyridyl)amino)ethyl)-
CID 199345
3,5-Difluoro-4-pyridinamine
CID 2737654
3,5-Difluoro-4-(tributylstannyl)pyridine
CID 16427123

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine?
The IUPAC name of 1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine (CID 19691468) is 1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine?
The canonical SMILES for 1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine is CN1CCN(c2c(F)cnc(F)c2F)CC1.
What is the InChIKey of 1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine?
The InChIKey is XFPXHWXEQOOUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-15-2-4-16(5-3-15)9-7(11)6-14-10(13)8(9)12/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine?
1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine has a molecular weight of 231.22 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,3,5-trifluoro-4-pyridinyl)piperazine is sourced from PubChem (CID 19691468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).