1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine

C13H21N3O3 — CID 171308585

IUPAC1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine
SMILESCCCC[C@@H](c1ccc([N+](=O)[O-])o1)N1CCNCC1
InChIInChI=1S/C13H21N3O3/c1-2-3-4-11(15-9-7-14-8-10-15)12-5-6-13(19-12)16(17)18/h5-6,11,14H,2-4,7-10H2,1H3/t11-/m0/s1
InChIKeyKFWZNCLLAULFLS-NSHDSACASA-N
MW267.33 g/mol
LogP2.32
Rot. Bonds6

About 1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine

1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine (PubChem CID 171308585) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine
PubChem CID171308585
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine
SMILESCCCC[C@@H](c1ccc([N+](=O)[O-])o1)N1CCNCC1
InChIInChI=1S/C13H21N3O3/c1-2-3-4-11(15-9-7-14-8-10-15)12-5-6-13(19-12)16(17)18/h5-6,11,14H,2-4,7-10H2,1H3/t11-/m0/s1
InChIKeyKFWZNCLLAULFLS-NSHDSACASA-N
XLogP2.32
TPSA71.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-4,4,4-trifluoro-1-(5-nitrofuran-2-yl)butyl]piperazine;dihydrochloride
CID 171302323
(3S)-3-(5-nitrofuran-2-yl)-3-piperazin-1-ylpropanenitrile
CID 171305766
1-[(1S)-1-(5-fluoro-2-nitrophenyl)pentyl]piperazine;dihydrochloride
CID 171309156
1-[(1S)-1-(4-chloro-3-nitrophenyl)pentyl]piperazine;dihydrochloride
CID 171309176
1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine
CID 171308285
1-[(1S)-1-(4,5-dimethylfuran-2-yl)pentyl]piperazine
CID 171309607
1-[(1S)-1-(2-chloro-5-nitrophenyl)hexyl]piperazine
CID 171309205
1-[(1R)-1-(4-fluoro-2-nitrophenyl)hexyl]piperazine
CID 171307863
1-[(1S)-1-(5-fluoro-2-nitrophenyl)hexyl]piperazine
CID 171309157
1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309043
1-[(1R)-1-(5-nitrothiophen-2-yl)butyl]piperazine
CID 171297078
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine (CID 171308585) is 1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine is CCCC[C@@H](c1ccc([N+](=O)[O-])o1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine?
The InChIKey is KFWZNCLLAULFLS-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-3-4-11(15-9-7-14-8-10-15)12-5-6-13(19-12)16(17)18/h5-6,11,14H,2-4,7-10H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine?
1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine has a molecular weight of 267.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-nitrofuran-2-yl)pentyl]piperazine is sourced from PubChem (CID 171308585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).