1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine

C9H15FN2 — CID 176931848

IUPAC1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine
SMILESC=C/C(=C(\C)F)N1CCNCC1
InChIInChI=1S/C9H15FN2/c1-3-9(8(2)10)12-6-4-11-5-7-12/h3,11H,1,4-7H2,2H3/b9-8-
InChIKeyGDFNFYMBLNSPEI-HJWRWDBZSA-N
MW170.23 g/mol
LogP1.28
Rot. Bonds2

About 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine

1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine (PubChem CID 176931848) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine.

Molecular Properties

Compound Name1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine
PubChem CID176931848
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine
SMILESC=C/C(=C(\C)F)N1CCNCC1
InChIInChI=1S/C9H15FN2/c1-3-9(8(2)10)12-6-4-11-5-7-12/h3,11H,1,4-7H2,2H3/b9-8-
InChIKeyGDFNFYMBLNSPEI-HJWRWDBZSA-N
XLogP1.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.28
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-(3-Fluorobuta-1,3-dien-2-yl)piperazine
CID 123812074
1-(3-Fluorobuta-1,3-dien-2-yl)-3-methylpiperazine
CID 123825895
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
(3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine
CID 143054123
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-[(3E,5E)-5-fluoro-4-methylhepta-1,3,5-trien-3-yl]piperazine
CID 144750404

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine?
The IUPAC name of 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine (CID 176931848) is 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine.
What is the SMILES notation for 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine?
The canonical SMILES for 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine is C=C/C(=C(\C)F)N1CCNCC1.
What is the InChIKey of 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine?
The InChIKey is GDFNFYMBLNSPEI-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H15FN2/c1-3-9(8(2)10)12-6-4-11-5-7-12/h3,11H,1,4-7H2,2H3/b9-8-.
What are the key properties of 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine?
1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine has a molecular weight of 170.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine is sourced from PubChem (CID 176931848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).