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

C13H20N2O — CID 131536658

IUPAC1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine
SMILESC=C[C@@H](c1cc(C)c(C)o1)N1CCNCC1
InChIInChI=1S/C13H20N2O/c1-4-12(15-7-5-14-6-8-15)13-9-10(2)11(3)16-13/h4,9,12,14H,1,5-8H2,2-3H3/t12-/m0/s1
InChIKeyJCAJSQVNNVLTRL-LBPRGKRZSA-N
MW220.32 g/mol
LogP2.03
Rot. Bonds3

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

1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine (PubChem CID 131536658) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine
PubChem CID131536658
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine
SMILESC=C[C@@H](c1cc(C)c(C)o1)N1CCNCC1
InChIInChI=1S/C13H20N2O/c1-4-12(15-7-5-14-6-8-15)13-9-10(2)11(3)16-13/h4,9,12,14H,1,5-8H2,2-3H3/t12-/m0/s1
InChIKeyJCAJSQVNNVLTRL-LBPRGKRZSA-N
XLogP2.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.03
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)pent-4-enyl]piperazine
CID 171282669
1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride
CID 171282638
1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride
CID 171294318
1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine
CID 171282671
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-(2,3,4,5,6-pentamethylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171282351
1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)prop-2-enyl]piperazine;dihydrochloride
CID 171276296
1-[(1S)-1-(4-fluoro-2-methylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171275255
1-[(1S)-1-(5-bromo-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine
CID 171164539
1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine
CID 171295226
1-[(1S)-1-(4-methoxy-3-methylphenyl)prop-2-enyl]piperazine
CID 171282576

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine (CID 131536658) is 1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine is C=C[C@@H](c1cc(C)c(C)o1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine?
The InChIKey is JCAJSQVNNVLTRL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-12(15-7-5-14-6-8-15)13-9-10(2)11(3)16-13/h4,9,12,14H,1,5-8H2,2-3H3/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine?
1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine has a molecular weight of 220.32 g/mol, XLogP of 2.03, 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)prop-2-enyl]piperazine is sourced from PubChem (CID 131536658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).