piperazine;2,3,4-trichlorophenol

C10H13Cl3N2O — CID 23618451

IUPACpiperazine;2,3,4-trichlorophenol
SMILESC1CNCCN1.Oc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H3Cl3O.C4H10N2/c7-3-1-2-4(10)6(9)5(3)8;1-2-6-4-3-5-1/h1-2,10H;5-6H,1-4H2
InChIKeyYZXUIGCLCKIHLA-UHFFFAOYSA-N
MW283.59 g/mol
LogP2.53
Rot. Bonds

About piperazine;2,3,4-trichlorophenol

piperazine;2,3,4-trichlorophenol (PubChem CID 23618451) has the molecular formula C10H13Cl3N2O and a molecular weight of 283.59 g/mol. Its IUPAC name is piperazine;2,3,4-trichlorophenol.

Molecular Properties

Compound Namepiperazine;2,3,4-trichlorophenol
PubChem CID23618451
Molecular FormulaC10H13Cl3N2O
Molecular Weight283.59 g/mol
Exact Mass282.01
IUPAC Namepiperazine;2,3,4-trichlorophenol
SMILESC1CNCCN1.Oc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H3Cl3O.C4H10N2/c7-3-1-2-4(10)6(9)5(3)8;1-2-6-4-3-5-1/h1-2,10H;5-6H,1-4H2
InChIKeyYZXUIGCLCKIHLA-UHFFFAOYSA-N
XLogP2.53
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.59
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperazine;2,3,4-trichlorophenol?
The IUPAC name of piperazine;2,3,4-trichlorophenol (CID 23618451) is piperazine;2,3,4-trichlorophenol.
What is the SMILES notation for piperazine;2,3,4-trichlorophenol?
The canonical SMILES for piperazine;2,3,4-trichlorophenol is C1CNCCN1.Oc1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of piperazine;2,3,4-trichlorophenol?
The InChIKey is YZXUIGCLCKIHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3O.C4H10N2/c7-3-1-2-4(10)6(9)5(3)8;1-2-6-4-3-5-1/h1-2,10H;5-6H,1-4H2.
What are the key properties of piperazine;2,3,4-trichlorophenol?
piperazine;2,3,4-trichlorophenol has a molecular weight of 283.59 g/mol, XLogP of 2.53, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;2,3,4-trichlorophenol is sourced from PubChem (CID 23618451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).