1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride

C12H20Cl2F2N2O — CID 171282505

IUPAC1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride
SMILESCCc1ccc([C@H](C(F)F)N2CCNCC2)o1.Cl.Cl
InChIInChI=1S/C12H18F2N2O.2ClH/c1-2-9-3-4-10(17-9)11(12(13)14)16-7-5-15-6-8-16;;/h3-4,11-12,15H,2,5-8H2,1H3;2*1H/t11-;;/m1../s1
InChIKeyHJXNRKURLXSATK-NVJADKKVSA-N
MW317.21 g/mol
LogP2.90
Rot. Bonds4

About 1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride

1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride (PubChem CID 171282505) has the molecular formula C12H20Cl2F2N2O and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride
PubChem CID171282505
Molecular FormulaC12H20Cl2F2N2O
Molecular Weight317.21 g/mol
Exact Mass316.09
IUPAC Name1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride
SMILESCCc1ccc([C@H](C(F)F)N2CCNCC2)o1.Cl.Cl
InChIInChI=1S/C12H18F2N2O.2ClH/c1-2-9-3-4-10(17-9)11(12(13)14)16-7-5-15-6-8-16;;/h3-4,11-12,15H,2,5-8H2,1H3;2*1H/t11-;;/m1../s1
InChIKeyHJXNRKURLXSATK-NVJADKKVSA-N
XLogP2.90
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride
CID 171295119
1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171282467
1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine
CID 171281145
1-[(S)-cyclohexyl-(5-ethylfuran-2-yl)methyl]piperazine
CID 171282516
[5-[(1R)-2-methyl-1-piperazin-1-ylbutyl]furan-2-yl]methanol
CID 171304772
1-[(R)-(5-ethylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171295142
1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171281539
1-[(1S)-2,2-difluoro-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285864
[5-[(1R)-1-piperazin-1-ylethyl]furan-2-yl]methanol
CID 131424921
1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
CID 171288181
1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171276033
1-[(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride
CID 171281880

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride (CID 171282505) is 1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride is CCc1ccc([C@H](C(F)F)N2CCNCC2)o1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The InChIKey is HJXNRKURLXSATK-NVJADKKVSA-N. The full InChI is InChI=1S/C12H18F2N2O.2ClH/c1-2-9-3-4-10(17-9)11(12(13)14)16-7-5-15-6-8-16;;/h3-4,11-12,15H,2,5-8H2,1H3;2*1H/t11-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride?
1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride has a molecular weight of 317.21 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171282505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).