1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine

C14H22N2O — CID 171281728

IUPAC1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1ccc(C)o1)N1CCNCC1
InChIInChI=1S/C14H22N2O/c1-3-4-5-13(14-7-6-12(2)17-14)16-10-8-15-9-11-16/h3,6-7,13,15H,1,4-5,8-11H2,2H3/t13-/m0/s1
InChIKeyQZIMERPJVVTXER-ZDUSSCGKSA-N
MW234.34 g/mol
LogP2.50
Rot. Bonds5

About 1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine

1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine (PubChem CID 171281728) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine
PubChem CID171281728
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine
SMILESC=CCC[C@@H](c1ccc(C)o1)N1CCNCC1
InChIInChI=1S/C14H22N2O/c1-3-4-5-13(14-7-6-12(2)17-14)16-10-8-15-9-11-16/h3,6-7,13,15H,1,4-5,8-11H2,2H3/t13-/m0/s1
InChIKeyQZIMERPJVVTXER-ZDUSSCGKSA-N
XLogP2.50
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(5-methylfuran-2-yl)but-3-enyl]piperazine;dihydrochloride
CID 171281705
1-[(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butyl]piperazine
CID 171303028
1-[(1S)-1-(4,5-dimethylfuran-2-yl)pent-4-enyl]piperazine
CID 171282669
trimethyl-[4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenoxy]silane
CID 171291672
1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride
CID 171294318
1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290601
1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171294885
1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine
CID 171293030
1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine
CID 171273720
1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine
CID 171287903
1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine
CID 171284992
2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171274672

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine (CID 171281728) is 1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine is C=CCC[C@@H](c1ccc(C)o1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine?
The InChIKey is QZIMERPJVVTXER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-4-5-13(14-7-6-12(2)17-14)16-10-8-15-9-11-16/h3,6-7,13,15H,1,4-5,8-11H2,2H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine?
1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine has a molecular weight of 234.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-methylfuran-2-yl)pent-4-enyl]piperazine is sourced from PubChem (CID 171281728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).