4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine

C12H20FN3 — CID 140764211

IUPAC4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
SMILESCCN1CCN(C2(F)C=CC(N)=CC2)CC1
InChIInChI=1S/C12H20FN3/c1-2-15-7-9-16(10-8-15)12(13)5-3-11(14)4-6-12/h3-5H,2,6-10,14H2,1H3
InChIKeyHGEUUVFGAGRAFD-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.09
Rot. Bonds2

About 4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine

4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine (PubChem CID 140764211) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
PubChem CID140764211
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
SMILESCCN1CCN(C2(F)C=CC(N)=CC2)CC1
InChIInChI=1S/C12H20FN3/c1-2-15-7-9-16(10-8-15)12(13)5-3-11(14)4-6-12/h3-5H,2,6-10,14H2,1H3
InChIKeyHGEUUVFGAGRAFD-UHFFFAOYSA-N
XLogP1.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-methyltetrahydroquinoxaline
CID 129794484
1-(6-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 67558052
(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 70542288
1-(6-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 71154189
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
1-(4-Fluorocyclohexa-1,5-dien-1-yl)piperazine
CID 89140548
(1S)-3-fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473881
3-Fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473979
(1S)-3-fluoro-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 89473983
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 90224007

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine (CID 140764211) is 4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine is CCN1CCN(C2(F)C=CC(N)=CC2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine?
The InChIKey is HGEUUVFGAGRAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-2-15-7-9-16(10-8-15)12(13)5-3-11(14)4-6-12/h3-5H,2,6-10,14H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine?
4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine has a molecular weight of 225.31 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 140764211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).