4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide

C16H24FIN4 — CID 111813721

IUPAC4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide
SMILESCC=CCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C16H23FN4.HI/c1-2-3-4-9-19-16(18)21-12-10-20(11-13-21)15-7-5-14(17)6-8-15;/h2-3,5-8H,4,9-13H2,1H3,(H2,18,19);1H
InChIKeyLJTBQASGCXPXNM-UHFFFAOYSA-N
MW418.30 g/mol
LogP2.85
Rot. Bonds4

About 4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide

4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 111813721) has the molecular formula C16H24FIN4 and a molecular weight of 418.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide
PubChem CID111813721
Molecular FormulaC16H24FIN4
Molecular Weight418.30 g/mol
Exact Mass418.10
IUPAC Name4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide
SMILESCC=CCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I
InChIInChI=1S/C16H23FN4.HI/c1-2-3-4-9-19-16(18)21-12-10-20(11-13-21)15-7-5-14(17)6-8-15;/h2-3,5-8H,4,9-13H2,1H3,(H2,18,19);1H
InChIKeyLJTBQASGCXPXNM-UHFFFAOYSA-N
XLogP2.85
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
N'-(3-butoxypropyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111025856
3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylpropanamide
CID 111068257
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115
4-(4-fluorophenyl)-N'-(6-methylsulfanylhexyl)piperazine-1-carboximidamide;hydroiodide
CID 110032064
N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111075047
N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 75482749
methyl 5-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]pentanoate;hydroiodide
CID 111086172
tert-butyl 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]propanoate;hydroiodide
CID 111804949
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111057246
N'-(2-chloroprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119147921

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide (CID 111813721) is 4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide is CC=CCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.I.
What is the InChIKey of 4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is LJTBQASGCXPXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4.HI/c1-2-3-4-9-19-16(18)21-12-10-20(11-13-21)15-7-5-14(17)6-8-15;/h2-3,5-8H,4,9-13H2,1H3,(H2,18,19);1H.
What are the key properties of 4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide?
4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 418.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111813721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).