2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine

C10H15FN2 — CID 144829719

IUPAC2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine
SMILESFC1=C(C2CNCCN2)C=CCC1
InChIInChI=1S/C10H15FN2/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h1,3,10,12-13H,2,4-7H2
InChIKeyKVBOISQUJZKITD-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.12
Rot. Bonds1

About 2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine

2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 144829719) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine
PubChem CID144829719
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine
SMILESFC1=C(C2CNCCN2)C=CCC1
InChIInChI=1S/C10H15FN2/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h1,3,10,12-13H,2,4-7H2
InChIKeyKVBOISQUJZKITD-UHFFFAOYSA-N
XLogP1.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydroquinoxaline
CID 69378669
1-(6-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 67558052
2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)piperazine
CID 69965134
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 70542288
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
6-(4-Ethylpiperazin-1-yl)-6-fluorocyclohexa-2,4-dien-1-amine
CID 118296270
2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine
CID 118312470
(3S,4R)-3-fluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
CID 137547838
(2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine
CID 141346483
1-[(4,4-Difluorocyclohexa-1,5-dien-1-yl)methyl]piperazine
CID 141752811
1-(2-Fluorocyclohepta-2,4,6-trien-1-yl)piperazine
CID 142112896

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of 2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine (CID 144829719) is 2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for 2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for 2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine is FC1=C(C2CNCCN2)C=CCC1.
What is the InChIKey of 2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is KVBOISQUJZKITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h1,3,10,12-13H,2,4-7H2.
What are the key properties of 2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine?
2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine has a molecular weight of 182.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorocyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 144829719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).