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

C15H26N2O — CID 171309607

IUPAC1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine
SMILESCCCC[C@@H](c1cc(C)c(C)o1)N1CCNCC1
InChIInChI=1S/C15H26N2O/c1-4-5-6-14(17-9-7-16-8-10-17)15-11-12(2)13(3)18-15/h11,14,16H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyHCPCSUTUVSPBFY-AWEZNQCLSA-N
MW250.39 g/mol
LogP3.03
Rot. Bonds5

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

1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine (PubChem CID 171309607) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine
PubChem CID171309607
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine
SMILESCCCC[C@@H](c1cc(C)c(C)o1)N1CCNCC1
InChIInChI=1S/C15H26N2O/c1-4-5-6-14(17-9-7-16-8-10-17)15-11-12(2)13(3)18-15/h11,14,16H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyHCPCSUTUVSPBFY-AWEZNQCLSA-N
XLogP3.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4,5-dimethylfuran-2-yl)propyl]piperazine;dihydrochloride
CID 171282638
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)-3-methylbut-3-enyl]piperazine
CID 171282671
2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307810
1-[(1S)-1-(4,5-dimethylfuran-2-yl)prop-2-enyl]piperazine
CID 131536658
1-[(1S)-1-(3,5-dibromophenyl)pentyl]piperazine
CID 171309615
1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine
CID 171308919
1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine
CID 171307626
1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171307766
1-[(1S)-1-(2,4,5-trifluorophenyl)pentyl]piperazine
CID 171166542
2-[(1R)-1-piperazin-1-ylpentyl]benzene-1,3,5-triol
CID 171308517

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine (CID 171309607) is 1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine is CCCC[C@@H](c1cc(C)c(C)o1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine?
The InChIKey is HCPCSUTUVSPBFY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-5-6-14(17-9-7-16-8-10-17)15-11-12(2)13(3)18-15/h11,14,16H,4-10H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine?
1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine has a molecular weight of 250.39 g/mol, XLogP of 3.03, 5 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)pentyl]piperazine is sourced from PubChem (CID 171309607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).