2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene

C11H12F3N3 — CID 142160715

IUPAC2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene
SMILESFC(F)(F)C1=C=CC=CN=C1N1CCNCC1
InChIInChI=1S/C11H12F3N3/c12-11(13,14)9-3-1-2-4-16-10(9)17-7-5-15-6-8-17/h1-2,4,15H,5-8H2
InChIKeyNXMOUNSDBQCMRG-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.46
Rot. Bonds

About 2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene

2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene (PubChem CID 142160715) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene.

Molecular Properties

Compound Name2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene
PubChem CID142160715
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene
SMILESFC(F)(F)C1=C=CC=CN=C1N1CCNCC1
InChIInChI=1S/C11H12F3N3/c12-11(13,14)9-3-1-2-4-16-10(9)17-7-5-15-6-8-17/h1-2,4,15H,5-8H2
InChIKeyNXMOUNSDBQCMRG-UHFFFAOYSA-N
XLogP1.46
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine
CID 143804982

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene?
The IUPAC name of 2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene (CID 142160715) is 2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene.
What is the SMILES notation for 2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene?
The canonical SMILES for 2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene is FC(F)(F)C1=C=CC=CN=C1N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene?
The InChIKey is NXMOUNSDBQCMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c12-11(13,14)9-3-1-2-4-16-10(9)17-7-5-15-6-8-17/h1-2,4,15H,5-8H2.
What are the key properties of 2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene?
2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene has a molecular weight of 243.23 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene is sourced from PubChem (CID 142160715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).