1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine

C11H15FN2 — CID 143024284

IUPAC1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine
SMILESFC1=CC=C(N2CCNCC2)CC=C1
InChIInChI=1S/C11H15FN2/c12-10-2-1-3-11(5-4-10)14-8-6-13-7-9-14/h1-2,4-5,13H,3,6-9H2
InChIKeyUDTBSWFRMIXLEV-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.59
Rot. Bonds1

About 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine

1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine (PubChem CID 143024284) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine.

Molecular Properties

Compound Name1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine
PubChem CID143024284
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine
SMILESFC1=CC=C(N2CCNCC2)CC=C1
InChIInChI=1S/C11H15FN2/c12-10-2-1-3-11(5-4-10)14-8-6-13-7-9-14/h1-2,4-5,13H,3,6-9H2
InChIKeyUDTBSWFRMIXLEV-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydro 5h cycloheptapyrazine
CID 129802376
1-(6-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 67558052
1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 70542288
1-(5,5,6,6-Tetrafluorocyclohexa-1,3-dien-1-yl)piperazine
CID 87668495
1-(4-Fluorocyclohexa-1,5-dien-1-yl)piperazine
CID 89140548
1-(3,5-Difluorocyclohexa-1,3-dien-1-yl)piperazine
CID 91293090
1-(2-Fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
CID 123503621
1-(6-Fluorocyclohepta-1,6-dien-1-yl)piperazine
CID 123623423
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine
CID 142067409
1-(2-Fluorocyclohepta-2,4,6-trien-1-yl)piperazine
CID 142112896
1-(6-Fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine
CID 142226978

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine?
The IUPAC name of 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine (CID 143024284) is 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine.
What is the SMILES notation for 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine?
The canonical SMILES for 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine is FC1=CC=C(N2CCNCC2)CC=C1.
What is the InChIKey of 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine?
The InChIKey is UDTBSWFRMIXLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-10-2-1-3-11(5-4-10)14-8-6-13-7-9-14/h1-2,4-5,13H,3,6-9H2.
What are the key properties of 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine?
1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine has a molecular weight of 194.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)piperazine is sourced from PubChem (CID 143024284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).