1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine

C13H16F4N2 — CID 171169905

IUPAC1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine
SMILESFCC[C@H](c1c(F)cc(F)cc1F)N1CCNCC1
InChIInChI=1S/C13H16F4N2/c14-2-1-12(19-5-3-18-4-6-19)13-10(16)7-9(15)8-11(13)17/h7-8,12,18H,1-6H2/t12-/m1/s1
InChIKeyUMCYXTICJYTZNV-GFCCVEGCSA-N
MW276.28 g/mol
LogP2.41
Rot. Bonds4

About 1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine

1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine (PubChem CID 171169905) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine
PubChem CID171169905
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine
SMILESFCC[C@H](c1c(F)cc(F)cc1F)N1CCNCC1
InChIInChI=1S/C13H16F4N2/c14-2-1-12(19-5-3-18-4-6-19)13-10(16)7-9(15)8-11(13)17/h7-8,12,18H,1-6H2/t12-/m1/s1
InChIKeyUMCYXTICJYTZNV-GFCCVEGCSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(4-bromo-2,6-difluorophenyl)-3-fluoropropyl]piperazine
CID 171165155
1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine
CID 171310915
1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine
CID 171164456
1-[(1R)-3-fluoro-1-(2,3,5-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171170108
1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171169950
(2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171174411
1-[(1S)-3-fluoro-1-(2,3,6-trifluorophenyl)propyl]piperazine
CID 171164693
1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine
CID 171169989
1-[(1S)-1-(2,4,6-trifluorophenyl)but-3-enyl]piperazine;hydrochloride
CID 171164612
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine
CID 171169981
1-[(1R)-3-fluoro-1-(2,3,6-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171170090
1-[(1S)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine
CID 171164913

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine (CID 171169905) is 1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine is FCC[C@H](c1c(F)cc(F)cc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine?
The InChIKey is UMCYXTICJYTZNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16F4N2/c14-2-1-12(19-5-3-18-4-6-19)13-10(16)7-9(15)8-11(13)17/h7-8,12,18H,1-6H2/t12-/m1/s1.
What are the key properties of 1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine?
1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine has a molecular weight of 276.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine is sourced from PubChem (CID 171169905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).