1-(4-fluorohexa-2,4-dien-3-yl)piperazine

C10H17FN2 — CID 123849712

IUPAC1-(4-fluorohexa-2,4-dien-3-yl)piperazine
SMILESCC=C(F)C(=CC)N1CCNCC1
InChIInChI=1S/C10H17FN2/c1-3-9(11)10(4-2)13-7-5-12-6-8-13/h3-4,12H,5-8H2,1-2H3
InChIKeyOPMBBPZAWKAZRI-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.67
Rot. Bonds2

About 1-(4-fluorohexa-2,4-dien-3-yl)piperazine

1-(4-fluorohexa-2,4-dien-3-yl)piperazine (PubChem CID 123849712) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(4-fluorohexa-2,4-dien-3-yl)piperazine.

Molecular Properties

Compound Name1-(4-fluorohexa-2,4-dien-3-yl)piperazine
PubChem CID123849712
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name1-(4-fluorohexa-2,4-dien-3-yl)piperazine
SMILESCC=C(F)C(=CC)N1CCNCC1
InChIInChI=1S/C10H17FN2/c1-3-9(11)10(4-2)13-7-5-12-6-8-13/h3-4,12H,5-8H2,1-2H3
InChIKeyOPMBBPZAWKAZRI-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-Fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
CID 123503621
1-(3-Fluorobuta-1,3-dien-2-yl)piperazine
CID 123812074
1-(3-Fluorobuta-1,3-dien-2-yl)-3-methylpiperazine
CID 123825895
(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-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-methylpiperazine
CID 141819086
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine
CID 142067409
(3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine
CID 143054123
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorohexa-2,4-dien-3-yl)piperazine?
The IUPAC name of 1-(4-fluorohexa-2,4-dien-3-yl)piperazine (CID 123849712) is 1-(4-fluorohexa-2,4-dien-3-yl)piperazine.
What is the SMILES notation for 1-(4-fluorohexa-2,4-dien-3-yl)piperazine?
The canonical SMILES for 1-(4-fluorohexa-2,4-dien-3-yl)piperazine is CC=C(F)C(=CC)N1CCNCC1.
What is the InChIKey of 1-(4-fluorohexa-2,4-dien-3-yl)piperazine?
The InChIKey is OPMBBPZAWKAZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-3-9(11)10(4-2)13-7-5-12-6-8-13/h3-4,12H,5-8H2,1-2H3.
What are the key properties of 1-(4-fluorohexa-2,4-dien-3-yl)piperazine?
1-(4-fluorohexa-2,4-dien-3-yl)piperazine has a molecular weight of 184.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorohexa-2,4-dien-3-yl)piperazine is sourced from PubChem (CID 123849712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).