1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine

C15H17N3O3 — CID 168527152

IUPAC1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine
SMILESCc1cc([N+](=O)[O-])c(N2CCNCC2)cc1-c1ccco1
InChIInChI=1S/C15H17N3O3/c1-11-9-14(18(19)20)13(17-6-4-16-5-7-17)10-12(11)15-3-2-8-21-15/h2-3,8-10,16H,4-7H2,1H3
InChIKeyGGZHQGWMCUNLKX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.57
Rot. Bonds3

About 1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine

1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine (PubChem CID 168527152) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine
PubChem CID168527152
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine
SMILESCc1cc([N+](=O)[O-])c(N2CCNCC2)cc1-c1ccco1
InChIInChI=1S/C15H17N3O3/c1-11-9-14(18(19)20)13(17-6-4-16-5-7-17)10-12(11)15-3-2-8-21-15/h2-3,8-10,16H,4-7H2,1H3
InChIKeyGGZHQGWMCUNLKX-UHFFFAOYSA-N
XLogP2.57
TPSA71.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.57
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-[2,4-dinitro-5-(1,4,7,10-tetrazacyclododec-1-yl)phenyl]-1,4,7,10-tetrazacyclododecane
CID 11713183
2-(4-bromo-2-methyl-5-nitrophenyl)furan
CID 168525004
1-(2,5-dimethyl-3-nitrophenyl)piperazine
CID 4738795
2,2-dimethyl-5-[(2-methyl-4-nitro-5-piperazin-1-ylanilino)methylidene]-1,3-dioxane-4,6-dione
CID 168539386
4-methyl-2-nitro-6-piperazin-1-ylphenol
CID 4738823
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
1-(4-methylsulfonyl-2-nitrophenyl)piperazine
CID 4599085
1-(2-nitro-4-propan-2-ylphenyl)piperazine
CID 146771936
4-nitro-3-piperazin-1-ylbenzaldehyde
CID 175320617
1-(3-methyl-4-nitrophenyl)-1,4-diazepane
CID 13007953
4-nitro-3-piperazin-1-ylbenzonitrile
CID 112694733
1-(2-chloro-3-nitrophenyl)piperazine
CID 20644619

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine?
The IUPAC name of 1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine (CID 168527152) is 1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine.
What is the SMILES notation for 1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine?
The canonical SMILES for 1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine is Cc1cc([N+](=O)[O-])c(N2CCNCC2)cc1-c1ccco1.
What is the InChIKey of 1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine?
The InChIKey is GGZHQGWMCUNLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-9-14(18(19)20)13(17-6-4-16-5-7-17)10-12(11)15-3-2-8-21-15/h2-3,8-10,16H,4-7H2,1H3.
What are the key properties of 1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine?
1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine has a molecular weight of 287.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine is sourced from PubChem (CID 168527152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).