1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine

C14H17F5N2O — CID 171165765

IUPAC1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine
SMILESFCC[C@@H](c1ccc(OC(F)(F)F)c(F)c1)N1CCNCC1
InChIInChI=1S/C14H17F5N2O/c15-4-3-12(21-7-5-20-6-8-21)10-1-2-13(11(16)9-10)22-14(17,18)19/h1-2,9,12,20H,3-8H2/t12-/m0/s1
InChIKeyAHGZSABZLDRFBC-LBPRGKRZSA-N
MW324.29 g/mol
LogP3.03
Rot. Bonds5

About 1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine

1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine (PubChem CID 171165765) has the molecular formula C14H17F5N2O and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine
PubChem CID171165765
Molecular FormulaC14H17F5N2O
Molecular Weight324.29 g/mol
Exact Mass324.13
IUPAC Name1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine
SMILESFCC[C@@H](c1ccc(OC(F)(F)F)c(F)c1)N1CCNCC1
InChIInChI=1S/C14H17F5N2O/c15-4-3-12(21-7-5-20-6-8-21)10-1-2-13(11(16)9-10)22-14(17,18)19/h1-2,9,12,20H,3-8H2/t12-/m0/s1
InChIKeyAHGZSABZLDRFBC-LBPRGKRZSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]butyl]piperazine;hydrochloride
CID 171171077
1-[(1R)-2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171279500
1-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165806
1-[(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171165636
1-[(1S)-1-(4-bromo-3-fluorophenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163574
1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 171169540
1-[(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroethyl]piperazine;hydrochloride
CID 171181992
1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine
CID 171170267
1-[(1S)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine
CID 171164913
1-[(1S)-1-[5-bromo-2-(trifluoromethoxy)phenyl]-3-fluoropropyl]piperazine
CID 171165667
(3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173771
1-[(1S)-1-[5-bromo-2-(trifluoromethoxy)phenyl]-3-fluoropropyl]piperazine;hydrochloride
CID 171165668

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine?
The IUPAC name of 1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine (CID 171165765) is 1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine.
What is the SMILES notation for 1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine?
The canonical SMILES for 1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine is FCC[C@@H](c1ccc(OC(F)(F)F)c(F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine?
The InChIKey is AHGZSABZLDRFBC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17F5N2O/c15-4-3-12(21-7-5-20-6-8-21)10-1-2-13(11(16)9-10)22-14(17,18)19/h1-2,9,12,20H,3-8H2/t12-/m0/s1.
What are the key properties of 1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine?
1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine has a molecular weight of 324.29 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine is sourced from PubChem (CID 171165765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).