1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride

C13H18ClF3N2 — CID 171169950

IUPAC1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride
SMILESCC[C@H](c1c(F)cc(F)cc1F)N1CCNCC1.Cl
InChIInChI=1S/C13H17F3N2.ClH/c1-2-12(18-5-3-17-4-6-18)13-10(15)7-9(14)8-11(13)16;/h7-8,12,17H,2-6H2,1H3;1H/t12-;/m1./s1
InChIKeyUEIKJEQPLCXFRS-UTONKHPSSA-N
MW294.75 g/mol
LogP2.88
Rot. Bonds3

About 1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride

1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride (PubChem CID 171169950) has the molecular formula C13H18ClF3N2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride
PubChem CID171169950
Molecular FormulaC13H18ClF3N2
Molecular Weight294.75 g/mol
Exact Mass294.11
IUPAC Name1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride
SMILESCC[C@H](c1c(F)cc(F)cc1F)N1CCNCC1.Cl
InChIInChI=1S/C13H17F3N2.ClH/c1-2-12(18-5-3-17-4-6-18)13-10(15)7-9(14)8-11(13)16;/h7-8,12,17H,2-6H2,1H3;1H/t12-;/m1./s1
InChIKeyUEIKJEQPLCXFRS-UTONKHPSSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride
CID 171172241
(2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171174411
1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine
CID 171169989
1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine
CID 171310915
1-[(1S)-1-(2,4,6-trifluorophenyl)but-3-enyl]piperazine;hydrochloride
CID 171164612
1-[(1S)-3-methyl-1-(2,4,6-trifluorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277543
1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine
CID 171169905
1-[(1S)-2-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine;dihydrochloride
CID 171305299
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine;hydrochloride
CID 171169982
1-[(1R)-1-(2,3,6-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171290288
3,5-difluoro-2-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171300143
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine
CID 171169981

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride (CID 171169950) is 1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride is CC[C@H](c1c(F)cc(F)cc1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride?
The InChIKey is UEIKJEQPLCXFRS-UTONKHPSSA-N. The full InChI is InChI=1S/C13H17F3N2.ClH/c1-2-12(18-5-3-17-4-6-18)13-10(15)7-9(14)8-11(13)16;/h7-8,12,17H,2-6H2,1H3;1H/t12-;/m1./s1.
What are the key properties of 1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride?
1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride has a molecular weight of 294.75 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171169950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).