1-(2,5-dichloro-4-nitrophenyl)piperazine

C10H11Cl2N3O2 — CID 165124690

IUPAC1-(2,5-dichloro-4-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1cc(Cl)c(N2CCNCC2)cc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c11-7-6-10(15(16)17)8(12)5-9(7)14-3-1-13-2-4-14/h5-6,13H,1-4H2
InChIKeyBHNRDJINZFRYFW-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.31
Rot. Bonds2

About 1-(2,5-dichloro-4-nitrophenyl)piperazine

1-(2,5-dichloro-4-nitrophenyl)piperazine (PubChem CID 165124690) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dichloro-4-nitrophenyl)piperazine
PubChem CID165124690
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name1-(2,5-dichloro-4-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1cc(Cl)c(N2CCNCC2)cc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c11-7-6-10(15(16)17)8(12)5-9(7)14-3-1-13-2-4-14/h5-6,13H,1-4H2
InChIKeyBHNRDJINZFRYFW-UHFFFAOYSA-N
XLogP2.31
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-chloro-3-nitrophenyl)piperazine
CID 4738747
1-[2,4-dinitro-5-(1,4,7,10-tetrazacyclododec-1-yl)phenyl]-1,4,7,10-tetrazacyclododecane
CID 11713183
1-(5-chloro-2,4-dinitrophenyl)azepane
CID 2842391
1-(2,5-dimethyl-3-nitrophenyl)piperazine
CID 4738795
1-(2-chloro-3-nitrophenyl)piperazine
CID 20644619
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
4-nitro-3-piperazin-1-ylbenzaldehyde
CID 175320617
4-methyl-2-nitro-6-piperazin-1-ylphenol
CID 4738823
1-(2,4-dimethoxy-5-nitrophenyl)piperazine
CID 4738746
4-nitro-3-piperazin-1-ylbenzonitrile
CID 112694733
1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole
CID 2794917
1-(2-fluoro-4-nitro-5-piperazin-1-ylphenyl)azepane
CID 2929455

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-nitrophenyl)piperazine?
The IUPAC name of 1-(2,5-dichloro-4-nitrophenyl)piperazine (CID 165124690) is 1-(2,5-dichloro-4-nitrophenyl)piperazine.
What is the SMILES notation for 1-(2,5-dichloro-4-nitrophenyl)piperazine?
The canonical SMILES for 1-(2,5-dichloro-4-nitrophenyl)piperazine is O=[N+]([O-])c1cc(Cl)c(N2CCNCC2)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-nitrophenyl)piperazine?
The InChIKey is BHNRDJINZFRYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c11-7-6-10(15(16)17)8(12)5-9(7)14-3-1-13-2-4-14/h5-6,13H,1-4H2.
What are the key properties of 1-(2,5-dichloro-4-nitrophenyl)piperazine?
1-(2,5-dichloro-4-nitrophenyl)piperazine has a molecular weight of 276.12 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-nitrophenyl)piperazine is sourced from PubChem (CID 165124690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).