4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine

C14H25FN4 — CID 123637709

IUPAC4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine
SMILESCN(C)CCN1CCN(C2=C(F)CC(N)C=C2)CC1
InChIInChI=1S/C14H25FN4/c1-17(2)5-6-18-7-9-19(10-8-18)14-4-3-12(16)11-13(14)15/h3-4,12H,5-11,16H2,1-2H3
InChIKeyJVGFYYOLNBHNEW-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.63
Rot. Bonds4

About 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 123637709) has the molecular formula C14H25FN4 and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine
PubChem CID123637709
Molecular FormulaC14H25FN4
Molecular Weight268.38 g/mol
Exact Mass268.21
IUPAC Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine
SMILESCN(C)CCN1CCN(C2=C(F)CC(N)C=C2)CC1
InChIInChI=1S/C14H25FN4/c1-17(2)5-6-18-7-9-19(10-8-18)14-4-3-12(16)11-13(14)15/h3-4,12H,5-11,16H2,1-2H3
InChIKeyJVGFYYOLNBHNEW-UHFFFAOYSA-N
XLogP0.63
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 67558052
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
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
6-(4-Ethylpiperazin-1-yl)-6-fluorocyclohexa-2,4-dien-1-amine
CID 118296270
1-(2-Fluoronona-3,6-dien-5-yl)piperazine
CID 123142512
1-(2-Fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
CID 123503621
1-(4-Fluorocyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 129209135
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine (CID 123637709) is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine is CN(C)CCN1CCN(C2=C(F)CC(N)C=C2)CC1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is JVGFYYOLNBHNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN4/c1-17(2)5-6-18-7-9-19(10-8-18)14-4-3-12(16)11-13(14)15/h3-4,12H,5-11,16H2,1-2H3.
What are the key properties of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine?
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 268.38 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123637709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).