1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine

C16H22F4N2O — CID 171167852

IUPAC1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine
SMILESCCCC[C@@H](c1cc(OC(F)(F)F)ccc1F)N1CCNCC1
InChIInChI=1S/C16H22F4N2O/c1-2-3-4-15(22-9-7-21-8-10-22)13-11-12(5-6-14(13)17)23-16(18,19)20/h5-6,11,15,21H,2-4,7-10H2,1H3/t15-/m0/s1
InChIKeyRLHYKAWAWRRGKT-HNNXBMFYSA-N
MW334.36 g/mol
LogP3.86
Rot. Bonds6

About 1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine

1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine (PubChem CID 171167852) has the molecular formula C16H22F4N2O and a molecular weight of 334.36 g/mol. Its IUPAC name is 1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine
PubChem CID171167852
Molecular FormulaC16H22F4N2O
Molecular Weight334.36 g/mol
Exact Mass334.17
IUPAC Name1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine
SMILESCCCC[C@@H](c1cc(OC(F)(F)F)ccc1F)N1CCNCC1
InChIInChI=1S/C16H22F4N2O/c1-2-3-4-15(22-9-7-21-8-10-22)13-11-12(5-6-14(13)17)23-16(18,19)20/h5-6,11,15,21H,2-4,7-10H2,1H3/t15-/m0/s1
InChIKeyRLHYKAWAWRRGKT-HNNXBMFYSA-N
XLogP3.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
(3S)-3-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171174884
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
CID 171308457
1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride
CID 171164078
1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171309375
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171308077
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]hexyl]piperazine;dihydrochloride
CID 171309260
1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine
CID 171166542
1-[(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]butyl]piperazine;dihydrochloride
CID 171284357
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171172081
1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307745

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine?
The IUPAC name of 1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine (CID 171167852) is 1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine is CCCC[C@@H](c1cc(OC(F)(F)F)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine?
The InChIKey is RLHYKAWAWRRGKT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22F4N2O/c1-2-3-4-15(22-9-7-21-8-10-22)13-11-12(5-6-14(13)17)23-16(18,19)20/h5-6,11,15,21H,2-4,7-10H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine?
1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine has a molecular weight of 334.36 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine is sourced from PubChem (CID 171167852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).