1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine

C13H18FIN2 — CID 171172200

IUPAC1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine
SMILESFCC[C@H](c1ccccc1I)N1CCNCC1
InChIInChI=1S/C13H18FIN2/c14-6-5-13(17-9-7-16-8-10-17)11-3-1-2-4-12(11)15/h1-4,13,16H,5-10H2/t13-/m1/s1
InChIKeyVHEYOIHELNGIMR-CYBMUJFWSA-N
MW348.20 g/mol
LogP2.60
Rot. Bonds4

About 1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine

1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine (PubChem CID 171172200) has the molecular formula C13H18FIN2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine
PubChem CID171172200
Molecular FormulaC13H18FIN2
Molecular Weight348.20 g/mol
Exact Mass348.05
IUPAC Name1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine
SMILESFCC[C@H](c1ccccc1I)N1CCNCC1
InChIInChI=1S/C13H18FIN2/c14-6-5-13(17-9-7-16-8-10-17)11-3-1-2-4-12(11)15/h1-4,13,16H,5-10H2/t13-/m1/s1
InChIKeyVHEYOIHELNGIMR-CYBMUJFWSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.60
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-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine
CID 131345100
1-[(1S)-1-(2-iodophenyl)butyl]piperazine
CID 171280679
1-[(1R)-3-fluoro-1-(2-fluorophenyl)propyl]piperazine;hydrochloride
CID 171168334
1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine
CID 171177405
1-[(1S)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine;hydrochloride
CID 171180808
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine
CID 171166965
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1S)-3-fluoro-1-[2-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171166620
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
1-[(1S)-1-(2-iodophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171280664
1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
CID 171168476
1-[(1S)-3-fluoro-1-phenanthren-9-ylpropyl]piperazine;hydrochloride
CID 171167260

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine (CID 171172200) is 1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine is FCC[C@H](c1ccccc1I)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine?
The InChIKey is VHEYOIHELNGIMR-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18FIN2/c14-6-5-13(17-9-7-16-8-10-17)11-3-1-2-4-12(11)15/h1-4,13,16H,5-10H2/t13-/m1/s1.
What are the key properties of 1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine?
1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine has a molecular weight of 348.20 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine is sourced from PubChem (CID 171172200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).