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1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine

C11H15FN2 — CID 142112896

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine
SMILESFC1=CC=CC=CC1N1CCNCC1
InChIInChI=1S/C11H15FN2/c12-10-4-2-1-3-5-11(10)14-8-6-13-7-9-14/h1-5,11,13H,6-9H2
InChIKeyDJFLESRGOGVYSI-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.24
Rot. Bonds1

About 1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine

1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine (PubChem CID 142112896) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine.

Molecular Properties

Compound Name1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine
PubChem CID142112896
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine
SMILESFC1=CC=CC=CC1N1CCNCC1
InChIInChI=1S/C11H15FN2/c12-10-4-2-1-3-5-11(10)14-8-6-13-7-9-14/h1-5,11,13H,6-9H2
InChIKeyDJFLESRGOGVYSI-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine?
The IUPAC name of 1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine (CID 142112896) is 1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine.
What is the SMILES notation for 1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine?
The canonical SMILES for 1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine is FC1=CC=CC=CC1N1CCNCC1.
What is the InChIKey of 1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine?
The InChIKey is DJFLESRGOGVYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-10-4-2-1-3-5-11(10)14-8-6-13-7-9-14/h1-5,11,13H,6-9H2.
What are the key properties of 1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine?
1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine has a molecular weight of 194.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorocyclohepta-2,4,6-trien-1-yl)piperazine is sourced from PubChem (CID 142112896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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