1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine

C10H14F3N3 — CID 143304969

IUPAC1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine
SMILESFC(F)(F)C1=CC=CNC1N1CCNCC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,9,14-15H,4-7H2
InChIKeyUPZGAHYNHFGVSR-UHFFFAOYSA-N
MW233.24 g/mol
LogP0.82
Rot. Bonds1

About 1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine

1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine (PubChem CID 143304969) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine
PubChem CID143304969
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine
SMILESFC(F)(F)C1=CC=CNC1N1CCNCC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,9,14-15H,4-7H2
InChIKeyUPZGAHYNHFGVSR-UHFFFAOYSA-N
XLogP0.82
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine?
The IUPAC name of 1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine (CID 143304969) is 1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine?
The canonical SMILES for 1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine is FC(F)(F)C1=CC=CNC1N1CCNCC1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine?
The InChIKey is UPZGAHYNHFGVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,9,14-15H,4-7H2.
What are the key properties of 1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine?
1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine has a molecular weight of 233.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1,2-dihydropyridin-2-yl]piperazine is sourced from PubChem (CID 143304969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).