1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride

C13H24Cl2N2O — CID 171282638

IUPAC1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1cc(C)c(C)o1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H22N2O.2ClH/c1-4-12(15-7-5-14-6-8-15)13-9-10(2)11(3)16-13;;/h9,12,14H,4-8H2,1-3H3;2*1H/t12-;;/m0../s1
InChIKeyFOZKEEHSWVFCIJ-LTCKWSDVSA-N
MW295.25 g/mol
LogP3.10
Rot. Bonds3

About 1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride

1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride (PubChem CID 171282638) has the molecular formula C13H24Cl2N2O and a molecular weight of 295.25 g/mol. Its IUPAC name is 1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride
PubChem CID171282638
Molecular FormulaC13H24Cl2N2O
Molecular Weight295.25 g/mol
Exact Mass294.13
IUPAC Name1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride
SMILESCC[C@@H](c1cc(C)c(C)o1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H22N2O.2ClH/c1-4-12(15-7-5-14-6-8-15)13-9-10(2)11(3)16-13;;/h9,12,14H,4-8H2,1-3H3;2*1H/t12-;;/m0../s1
InChIKeyFOZKEEHSWVFCIJ-LTCKWSDVSA-N
XLogP3.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine
CID 171309607
1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171304059
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)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine
CID 131536658
1-[(1R)-1-(5-ethylfuran-2-yl)propyl]piperazine;dihydrochloride
CID 171295119
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171277140
1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride
CID 171282713
1-[(1R)-1-(2-methylphenyl)propyl]piperazine
CID 92754595
1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
CID 171276189

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride (CID 171282638) is 1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride is CC[C@@H](c1cc(C)c(C)o1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride?
The InChIKey is FOZKEEHSWVFCIJ-LTCKWSDVSA-N. The full InChI is InChI=1S/C13H22N2O.2ClH/c1-4-12(15-7-5-14-6-8-15)13-9-10(2)11(3)16-13;;/h9,12,14H,4-8H2,1-3H3;2*1H/t12-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride?
1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride has a molecular weight of 295.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171282638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).