1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride

C13H21Cl2F3N2O — CID 171304059

IUPAC1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
SMILESCc1cc([C@@H](CC(F)(F)F)N2CCNCC2)oc1C.Cl.Cl
InChIInChI=1S/C13H19F3N2O.2ClH/c1-9-7-12(19-10(9)2)11(8-13(14,15)16)18-5-3-17-4-6-18;;/h7,11,17H,3-6,8H2,1-2H3;2*1H/t11-;;/m1../s1
InChIKeyFRGREDHNBBNYCQ-NVJADKKVSA-N
MW349.22 g/mol
LogP3.64
Rot. Bonds3

About 1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride

1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride (PubChem CID 171304059) has the molecular formula C13H21Cl2F3N2O and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
PubChem CID171304059
Molecular FormulaC13H21Cl2F3N2O
Molecular Weight349.22 g/mol
Exact Mass348.10
IUPAC Name1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
SMILESCc1cc([C@@H](CC(F)(F)F)N2CCNCC2)oc1C.Cl.Cl
InChIInChI=1S/C13H19F3N2O.2ClH/c1-9-7-12(19-10(9)2)11(8-13(14,15)16)18-5-3-17-4-6-18;;/h7,11,17H,3-6,8H2,1-2H3;2*1H/t11-;;/m1../s1
InChIKeyFRGREDHNBBNYCQ-NVJADKKVSA-N
XLogP3.64
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride
CID 171282638
1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine
CID 171309607
1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine
CID 171282671
1-[(1S)-1-(4,5-dimethylfuran-2-yl)pent-4-enyl]piperazine
CID 171282669
1-[(1S)-3,3,3-trifluoro-1-(2,3,4,5,6-pentamethylphenyl)propyl]piperazine;hydrochloride
CID 171167302
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride
CID 171168966
1-[(1S)-1-(4-bromothiophen-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302329
1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine
CID 171166539
1-[(1S)-1-(4-chloro-2-methylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303000
1-[(1S)-1-(3,5-dibromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171167338
1-[(1R)-3,3,3-trifluoro-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride
CID 171172311

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride (CID 171304059) is 1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride is Cc1cc([C@@H](CC(F)(F)F)N2CCNCC2)oc1C.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride?
The InChIKey is FRGREDHNBBNYCQ-NVJADKKVSA-N. The full InChI is InChI=1S/C13H19F3N2O.2ClH/c1-9-7-12(19-10(9)2)11(8-13(14,15)16)18-5-3-17-4-6-18;;/h7,11,17H,3-6,8H2,1-2H3;2*1H/t11-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride?
1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride has a molecular weight of 349.22 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride is sourced from PubChem (CID 171304059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).