1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine

C15H14F3N3 — CID 110454799

IUPAC1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine
SMILESFc1ccc(N2CCN(c3ccccn3)CC2)c(F)c1F
InChIInChI=1S/C15H14F3N3/c16-11-4-5-12(15(18)14(11)17)20-7-9-21(10-8-20)13-3-1-2-6-19-13/h1-6H,7-10H2
InChIKeyCWMXBDQQSKWTGG-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.83
Rot. Bonds2

About 1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine

1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine (PubChem CID 110454799) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine
PubChem CID110454799
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine
SMILESFc1ccc(N2CCN(c3ccccn3)CC2)c(F)c1F
InChIInChI=1S/C15H14F3N3/c16-11-4-5-12(15(18)14(11)17)20-7-9-21(10-8-20)13-3-1-2-6-19-13/h1-6H,7-10H2
InChIKeyCWMXBDQQSKWTGG-UHFFFAOYSA-N
XLogP2.83
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-[2-(chloromethyl)-4-fluorophenyl]-4-pyridin-2-ylpiperazine
CID 43313513
1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
1-pyridin-2-ylpiperazin-4-ium
CID 3992659
1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine
CID 171622110
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
3-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile
CID 63087366
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
2-(4-pyridin-2-ylpiperazin-1-yl)benzenesulfonamide
CID 86818361
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine?
The IUPAC name of 1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine (CID 110454799) is 1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine is Fc1ccc(N2CCN(c3ccccn3)CC2)c(F)c1F.
What is the InChIKey of 1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine?
The InChIKey is CWMXBDQQSKWTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3/c16-11-4-5-12(15(18)14(11)17)20-7-9-21(10-8-20)13-3-1-2-6-19-13/h1-6H,7-10H2.
What are the key properties of 1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine?
1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine has a molecular weight of 293.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine is sourced from PubChem (CID 110454799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).