1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride

C15H24Cl2FIN2 — CID 171308457

IUPAC1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1cc(I)ccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22FIN2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(17)5-6-14(13)16;;/h5-6,11,15,18H,2-4,7-10H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyOSZASBTVSDMMPI-QCUBGVIVSA-N
MW449.18 g/mol
LogP4.41
Rot. Bonds5

About 1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride

1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171308457) has the molecular formula C15H24Cl2FIN2 and a molecular weight of 449.18 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
PubChem CID171308457
Molecular FormulaC15H24Cl2FIN2
Molecular Weight449.18 g/mol
Exact Mass448.03
IUPAC Name1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1cc(I)ccc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H22FIN2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(17)5-6-14(13)16;;/h5-6,11,15,18H,2-4,7-10H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyOSZASBTVSDMMPI-QCUBGVIVSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.18
LogP ≤ 54.41
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-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride
CID 171164078
1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171284070
1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307745
1-[(1S)-4,4,4-trifluoro-1-(2-fluoro-5-iodophenyl)butyl]piperazine;dihydrochloride
CID 171303191
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine
CID 171166542
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine
CID 171167786
1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine
CID 171167852
1-[(1S)-3,3,3-trifluoro-1-(2-fluoro-5-iodophenyl)propyl]piperazine;hydrochloride
CID 171167843
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642
3-fluoro-4-[(1S)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171308647

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride (CID 171308457) is 1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride is CCCC[C@H](c1cc(I)ccc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is OSZASBTVSDMMPI-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H22FIN2.2ClH/c1-2-3-4-15(19-9-7-18-8-10-19)13-11-12(17)5-6-14(13)16;;/h5-6,11,15,18H,2-4,7-10H2,1H3;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride has a molecular weight of 449.18 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).