1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride

C17H25ClF4N2 — CID 171170836

IUPAC1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
SMILESCCCC(C)[C@H](c1cccc(C(F)(F)F)c1F)N1CCNCC1.Cl
InChIInChI=1S/C17H24F4N2.ClH/c1-3-5-12(2)16(23-10-8-22-9-11-23)13-6-4-7-14(15(13)18)17(19,20)21;/h4,6-7,12,16,22H,3,5,8-11H2,1-2H3;1H/t12?,16-;/m1./s1
InChIKeySJJTVXXGEHOAAF-LWPABBACSA-N
MW368.85 g/mol
LogP4.65
Rot. Bonds5

About 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride

1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride (PubChem CID 171170836) has the molecular formula C17H25ClF4N2 and a molecular weight of 368.85 g/mol. Its IUPAC name is 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
PubChem CID171170836
Molecular FormulaC17H25ClF4N2
Molecular Weight368.85 g/mol
Exact Mass368.16
IUPAC Name1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
SMILESCCCC(C)[C@H](c1cccc(C(F)(F)F)c1F)N1CCNCC1.Cl
InChIInChI=1S/C17H24F4N2.ClH/c1-3-5-12(2)16(23-10-8-22-9-11-23)13-6-4-7-14(15(13)18)17(19,20)21;/h4,6-7,12,16,22H,3,5,8-11H2,1-2H3;1H/t12?,16-;/m1./s1
InChIKeySJJTVXXGEHOAAF-LWPABBACSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171165396
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171170943
1-[(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpentyl]piperazine
CID 171163935
1-[(1R)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine
CID 171171538
1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-methylpentyl]piperazine
CID 171171984
1-[(1S)-2-methyl-1-[2-(trifluoromethylsulfanyl)phenyl]pentyl]piperazine;hydrochloride
CID 171167042
1-[(1R)-3-fluoro-1-[2-fluoro-3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170871
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171291887
1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171162908
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166305
1-[(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171167614
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171166477

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride (CID 171170836) is 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride is CCCC(C)[C@H](c1cccc(C(F)(F)F)c1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride?
The InChIKey is SJJTVXXGEHOAAF-LWPABBACSA-N. The full InChI is InChI=1S/C17H24F4N2.ClH/c1-3-5-12(2)16(23-10-8-22-9-11-23)13-6-4-7-14(15(13)18)17(19,20)21;/h4,6-7,12,16,22H,3,5,8-11H2,1-2H3;1H/t12?,16-;/m1./s1.
What are the key properties of 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride?
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride has a molecular weight of 368.85 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride is sourced from PubChem (CID 171170836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).