1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine

C14H18F4N2 — CID 171171672

IUPAC1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine
SMILESCC[C@H](c1ccc(C(F)(F)F)c(F)c1)N1CCNCC1
InChIInChI=1S/C14H18F4N2/c1-2-13(20-7-5-19-6-8-20)10-3-4-11(12(15)9-10)14(16,17)18/h3-4,9,13,19H,2,5-8H2,1H3/t13-/m1/s1
InChIKeyGSECQVMRNMBNGK-CYBMUJFWSA-N
MW290.30 g/mol
LogP3.20
Rot. Bonds3

About 1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine

1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine (PubChem CID 171171672) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine
PubChem CID171171672
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine
SMILESCC[C@H](c1ccc(C(F)(F)F)c(F)c1)N1CCNCC1
InChIInChI=1S/C14H18F4N2/c1-2-13(20-7-5-19-6-8-20)10-3-4-11(12(15)9-10)14(16,17)18/h3-4,9,13,19H,2,5-8H2,1H3/t13-/m1/s1
InChIKeyGSECQVMRNMBNGK-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-[(1R)-2-fluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171182619
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
CID 95454803
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439
1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171292740
1-[(1R)-1-(4-bromo-3-fluorophenyl)propyl]piperazine
CID 171168921
1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171277140
1-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165806
1-[(1S)-1-(4-bromo-3-fluorophenyl)propyl]piperazine;dihydrochloride
CID 171275228
2-fluoro-4-[(1S)-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171162748
1-[(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171280114
6-fluoro-2-[(1S)-1-piperazin-1-ylpropyl]-3-(trifluoromethyl)phenol;dihydrochloride
CID 171299477
1-[(1S)-1-(3-chloro-4-fluorophenyl)propyl]piperazine
CID 96664875

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine?
The IUPAC name of 1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine (CID 171171672) is 1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine is CC[C@H](c1ccc(C(F)(F)F)c(F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine?
The InChIKey is GSECQVMRNMBNGK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-2-13(20-7-5-19-6-8-20)10-3-4-11(12(15)9-10)14(16,17)18/h3-4,9,13,19H,2,5-8H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine?
1-[(1R)-1-[3-fluoro-4-(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-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]piperazine is sourced from PubChem (CID 171171672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).