(3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine

C10H16FN3 — CID 143054123

IUPAC(3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(/F)C(=C)N1CCNCC1
InChIInChI=1S/C10H16FN3/c1-8(12)7-10(11)9(2)14-5-3-13-4-6-14/h7,13H,1-6,12H2/b10-7+
InChIKeyFIGUKCVEAOZIAD-JXMROGBWSA-N
MW197.26 g/mol
LogP0.73
Rot. Bonds3

About (3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine

(3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine (PubChem CID 143054123) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is (3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine
PubChem CID143054123
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name(3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(/F)C(=C)N1CCNCC1
InChIInChI=1S/C10H16FN3/c1-8(12)7-10(11)9(2)14-5-3-13-4-6-14/h7,13H,1-6,12H2/b10-7+
InChIKeyFIGUKCVEAOZIAD-JXMROGBWSA-N
XLogP0.73
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
CID 122640398
1-(6-Fluorocyclohepta-1,6-dien-1-yl)piperazine
CID 123623423
1-(3-Fluorobuta-1,3-dien-2-yl)piperazine
CID 123812074
1-(4-Fluorohexa-2,4-dien-3-yl)piperazine
CID 123849712
(2S)-1-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-2-methylpiperazine
CID 129212975
N,1-dimethyl-6-(trifluoromethyl)-2H-pyridin-3-amine
CID 132064716
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine
CID 142067409
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 143191827
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846292
1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine
CID 143848920
1-(3-Fluoro-1,2-dihydropyridin-4-yl)-4-methylpiperazine
CID 174193896

Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine (CID 143054123) is (3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine is C=C(N)/C=C(/F)C(=C)N1CCNCC1.
What is the InChIKey of (3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine?
The InChIKey is FIGUKCVEAOZIAD-JXMROGBWSA-N. The full InChI is InChI=1S/C10H16FN3/c1-8(12)7-10(11)9(2)14-5-3-13-4-6-14/h7,13H,1-6,12H2/b10-7+.
What are the key properties of (3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine?
(3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine has a molecular weight of 197.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143054123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).