1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine

C15H22BrFN2 — CID 171163752

IUPAC1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine
SMILESCCCC[C@@H](c1cc(F)ccc1Br)N1CCNCC1
InChIInChI=1S/C15H22BrFN2/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/t15-/m0/s1
InChIKeyFAMYNTJJTHUTAA-HNNXBMFYSA-N
MW329.26 g/mol
LogP3.72
Rot. Bonds5

About 1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine

1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine (PubChem CID 171163752) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine
PubChem CID171163752
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine
SMILESCCCC[C@@H](c1cc(F)ccc1Br)N1CCNCC1
InChIInChI=1S/C15H22BrFN2/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/t15-/m0/s1
InChIKeyFAMYNTJJTHUTAA-HNNXBMFYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-bromo-5-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171307633
1-[(1R)-1-(2-bromo-5-fluorophenyl)butyl]piperazine
CID 171169151
1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine
CID 171308409
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171307766
1-[(1S)-1-(2-bromo-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302555
1-[(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309239
1-[(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171275863
1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine
CID 171169591
1-[(1S)-1-(2-bromo-4-fluorophenyl)butyl]piperazine
CID 171163371
1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine
CID 171168887
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171166176

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine (CID 171163752) is 1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine is CCCC[C@@H](c1cc(F)ccc1Br)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine?
The InChIKey is FAMYNTJJTHUTAA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22BrFN2/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/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine?
1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine has a molecular weight of 329.26 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine is sourced from PubChem (CID 171163752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).