1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine

C15H24N2O — CID 171282671

IUPAC1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine
SMILESC=C(C)C[C@@H](c1cc(C)c(C)o1)N1CCNCC1
InChIInChI=1S/C15H24N2O/c1-11(2)9-14(17-7-5-16-6-8-17)15-10-12(3)13(4)18-15/h10,14,16H,1,5-9H2,2-4H3/t14-/m0/s1
InChIKeyFQFBCXHYGAKISF-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.81
Rot. Bonds4

About 1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine

1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine (PubChem CID 171282671) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine
PubChem CID171282671
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine
SMILESC=C(C)C[C@@H](c1cc(C)c(C)o1)N1CCNCC1
InChIInChI=1S/C15H24N2O/c1-11(2)9-14(17-7-5-16-6-8-17)15-10-12(3)13(4)18-15/h10,14,16H,1,5-9H2,2-4H3/t14-/m0/s1
InChIKeyFQFBCXHYGAKISF-AWEZNQCLSA-N
XLogP2.81
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride
CID 171282638
1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine
CID 171290602
1-[(1S)-1-(4,5-dimethylfuran-2-yl)pent-4-enyl]piperazine
CID 171282669
1-[(1R)-1-(4,5-dimethylfuran-2-yl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171304059
1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine
CID 171309607
1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine
CID 131536658
1-[(1S)-1-(2,5-dimethylphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171283999
1-[(1S)-3-methyl-1-phenylbut-3-enyl]piperazine;dihydrochloride
CID 171282917
1-[(1S)-1-(3-iodophenyl)-3-methylbut-3-enyl]piperazine
CID 171280724
1-[(1S)-1-(4-fluoro-2-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171275277
5-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]benzene-1,3-diol;dihydrochloride
CID 171273875
1-[(1S)-1-(3,5-dichlorophenyl)-3-methylbut-3-enyl]piperazine
CID 171275793

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine (CID 171282671) is 1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine is C=C(C)C[C@@H](c1cc(C)c(C)o1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine?
The InChIKey is FQFBCXHYGAKISF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)9-14(17-7-5-16-6-8-17)15-10-12(3)13(4)18-15/h10,14,16H,1,5-9H2,2-4H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine?
1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 2.81, 4 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)-3-methylbut-3-enyl]piperazine is sourced from PubChem (CID 171282671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).