1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine

C14H18F4N2 — CID 171171793

IUPAC1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine
SMILESCC[C@H](c1cc(C(F)(F)F)ccc1F)N1CCNCC1
InChIInChI=1S/C14H18F4N2/c1-2-13(20-7-5-19-6-8-20)11-9-10(14(16,17)18)3-4-12(11)15/h3-4,9,13,19H,2,5-8H2,1H3/t13-/m1/s1
InChIKeyROSNCKRPKQBVQT-CYBMUJFWSA-N
MW290.30 g/mol
LogP3.20
Rot. Bonds3

About 1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine

1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine (PubChem CID 171171793) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine
PubChem CID171171793
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine
SMILESCC[C@H](c1cc(C(F)(F)F)ccc1F)N1CCNCC1
InChIInChI=1S/C14H18F4N2/c1-2-13(20-7-5-19-6-8-20)11-9-10(14(16,17)18)3-4-12(11)15/h3-4,9,13,19H,2,5-8H2,1H3/t13-/m1/s1
InChIKeyROSNCKRPKQBVQT-CYBMUJFWSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171310315
1-[(1S)-4,4,4-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166361
1-[(1S)-3-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171166395
(3S)-3-[2-fluoro-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropanenitrile
CID 171306218
1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677014
1-[(1R)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677015
1-[(1S)-1-(2,5-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171277042
1-[1-(2,5-difluorophenyl)propyl]-1,4-diazepane
CID 82298844
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride
CID 171279938
1-[(1R)-1-(2,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171292983
1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
CID 171170650
1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171307950

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine?
The IUPAC name of 1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine (CID 171171793) is 1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine is CC[C@H](c1cc(C(F)(F)F)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine?
The InChIKey is ROSNCKRPKQBVQT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-2-13(20-7-5-19-6-8-20)11-9-10(14(16,17)18)3-4-12(11)15/h3-4,9,13,19H,2,5-8H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine?
1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine has a molecular weight of 290.30 g/mol, XLogP of 3.20, 3 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-5-(trifluoromethyl)phenyl]propyl]piperazine is sourced from PubChem (CID 171171793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).