1-(4-fluoro-2-iodophenyl)-3-propylpiperazine

C13H18FIN2 — CID 79771519

IUPAC1-(4-fluoro-2-iodophenyl)-3-propylpiperazine
SMILESCCCC1CN(c2ccc(F)cc2I)CCN1
InChIInChI=1S/C13H18FIN2/c1-2-3-11-9-17(7-6-16-11)13-5-4-10(14)8-12(13)15/h4-5,8,11,16H,2-3,6-7,9H2,1H3
InChIKeyBSSGHRXLOSTWBU-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.01
Rot. Bonds3

About 1-(4-fluoro-2-iodophenyl)-3-propylpiperazine

1-(4-fluoro-2-iodophenyl)-3-propylpiperazine (PubChem CID 79771519) has the molecular formula C13H18FIN2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)-3-propylpiperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)-3-propylpiperazine
PubChem CID79771519
Molecular FormulaC13H18FIN2
Molecular Weight348.20 g/mol
Exact Mass348.05
IUPAC Name1-(4-fluoro-2-iodophenyl)-3-propylpiperazine
SMILESCCCC1CN(c2ccc(F)cc2I)CCN1
InChIInChI=1S/C13H18FIN2/c1-2-3-11-9-17(7-6-16-11)13-5-4-10(14)8-12(13)15/h4-5,8,11,16H,2-3,6-7,9H2,1H3
InChIKeyBSSGHRXLOSTWBU-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-3-propylpiperazine
CID 64925789
1-(2,4-difluorophenyl)-3-propyl-1,4-diazepane
CID 64943890
1-(4-fluoro-2-methoxyphenyl)-3-propyl-1,4-diazepane
CID 64942694
1-(2,5-difluorophenyl)-3-ethylpiperazine
CID 64925171
1-(5-bromo-2,4-difluorophenyl)-3-propylpiperazine
CID 102855240
1-(3,4-difluorophenyl)-3-propylpiperazine
CID 64923821
1-(3-bromo-4-iodophenyl)-3-propylpiperazine
CID 114262416
1-(4-fluoro-2-iodophenyl)piperazine
CID 79766904
1-(4-bromo-2-fluorophenyl)-3-propyl-1,4-diazepane
CID 64943768
1-(4-fluoro-2-iodophenyl)-3-propan-2-yl-1,4-diazepane
CID 79771327
1-[4-bromo-2-(trifluoromethoxy)phenyl]-3-propylpiperazine
CID 103193691
1-(2-methoxy-5-methylphenyl)-3-propylpiperazine
CID 64923794

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)-3-propylpiperazine?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)-3-propylpiperazine (CID 79771519) is 1-(4-fluoro-2-iodophenyl)-3-propylpiperazine.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)-3-propylpiperazine?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)-3-propylpiperazine is CCCC1CN(c2ccc(F)cc2I)CCN1.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)-3-propylpiperazine?
The InChIKey is BSSGHRXLOSTWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FIN2/c1-2-3-11-9-17(7-6-16-11)13-5-4-10(14)8-12(13)15/h4-5,8,11,16H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(4-fluoro-2-iodophenyl)-3-propylpiperazine?
1-(4-fluoro-2-iodophenyl)-3-propylpiperazine has a molecular weight of 348.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)-3-propylpiperazine is sourced from PubChem (CID 79771519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).