1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine

C15H22FIN2 — CID 171167786

IUPAC1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine
SMILESCC(C)C[C@@H](c1cc(I)ccc1F)N1CCNCC1
InChIInChI=1S/C15H22FIN2/c1-11(2)9-15(19-7-5-18-6-8-19)13-10-12(17)3-4-14(13)16/h3-4,10-11,15,18H,5-9H2,1-2H3/t15-/m0/s1
InChIKeyWSLAJSPSWHXKAE-HNNXBMFYSA-N
MW376.26 g/mol
LogP3.42
Rot. Bonds4

About 1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine

1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine (PubChem CID 171167786) has the molecular formula C15H22FIN2 and a molecular weight of 376.26 g/mol. Its IUPAC name is 1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine
PubChem CID171167786
Molecular FormulaC15H22FIN2
Molecular Weight376.26 g/mol
Exact Mass376.08
IUPAC Name1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine
SMILESCC(C)C[C@@H](c1cc(I)ccc1F)N1CCNCC1
InChIInChI=1S/C15H22FIN2/c1-11(2)9-15(19-7-5-18-6-8-19)13-10-12(17)3-4-14(13)16/h3-4,10-11,15,18H,5-9H2,1-2H3/t15-/m0/s1
InChIKeyWSLAJSPSWHXKAE-HNNXBMFYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.42
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)-1-(5-chloro-2-fluorophenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171169098
1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171284070
1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
CID 171308457
1-[(1R)-2-cyclopropyl-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171296703
1-[(1S)-4,4,4-trifluoro-1-(2-fluoro-5-iodophenyl)butyl]piperazine;dihydrochloride
CID 171303191
1-[(1S)-3,3,3-trifluoro-1-(2-fluoro-5-iodophenyl)propyl]piperazine;hydrochloride
CID 171167843
1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine
CID 171173178
1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171296691
1-[(1R)-1-(2-fluoro-5-iodophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304933
1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
CID 82305169
2,3-difluoro-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171297587
1-[(1R)-1-(2-fluoro-5-iodophenyl)-2,2-dimethylpropyl]piperazine
CID 171173264

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine (CID 171167786) is 1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine is CC(C)C[C@@H](c1cc(I)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine?
The InChIKey is WSLAJSPSWHXKAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22FIN2/c1-11(2)9-15(19-7-5-18-6-8-19)13-10-12(17)3-4-14(13)16/h3-4,10-11,15,18H,5-9H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine?
1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine has a molecular weight of 376.26 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine is sourced from PubChem (CID 171167786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).