1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride

C16H23ClF4N2 — CID 171166176

IUPAC1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1cc(F)ccc1C(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C16H22F4N2.ClH/c1-2-3-4-15(22-9-7-21-8-10-22)13-11-12(17)5-6-14(13)16(18,19)20;/h5-6,11,15,21H,2-4,7-10H2,1H3;1H/t15-;/m0./s1
InChIKeyXCZBCYRBAMSYJB-RSAXXLAASA-N
MW354.82 g/mol
LogP4.40
Rot. Bonds5

About 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride

1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride (PubChem CID 171166176) has the molecular formula C16H23ClF4N2 and a molecular weight of 354.82 g/mol. Its IUPAC name is 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
PubChem CID171166176
Molecular FormulaC16H23ClF4N2
Molecular Weight354.82 g/mol
Exact Mass354.15
IUPAC Name1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
SMILESCCCC[C@@H](c1cc(F)ccc1C(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C16H22F4N2.ClH/c1-2-3-4-15(22-9-7-21-8-10-22)13-11-12(17)5-6-14(13)16(18,19)20;/h5-6,11,15,21H,2-4,7-10H2,1H3;1H/t15-;/m0./s1
InChIKeyXCZBCYRBAMSYJB-RSAXXLAASA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171171513
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride
CID 171279886
1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171166070
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309199
1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171307766
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166024
1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine
CID 171163752
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171164755
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309341
1-[(1R)-1-(2-bromo-5-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171307633
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;hydrochloride
CID 171163026

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride (CID 171166176) is 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride is CCCC[C@@H](c1cc(F)ccc1C(F)(F)F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride?
The InChIKey is XCZBCYRBAMSYJB-RSAXXLAASA-N. The full InChI is InChI=1S/C16H22F4N2.ClH/c1-2-3-4-15(22-9-7-21-8-10-22)13-11-12(17)5-6-14(13)16(18,19)20;/h5-6,11,15,21H,2-4,7-10H2,1H3;1H/t15-;/m0./s1.
What are the key properties of 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride?
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride has a molecular weight of 354.82 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride is sourced from PubChem (CID 171166176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).