2-(2-chloro-6-methoxy-4-pyridinyl)piperazine

C10H14ClN3O — CID 89008904

IUPAC2-(2-chloro-6-methoxy-4-pyridinyl)piperazine
SMILESCOc1cc(C2CNCCN2)cc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-15-10-5-7(4-9(11)14-10)8-6-12-2-3-13-8/h4-5,8,12-13H,2-3,6H2,1H3
InChIKeyIWECCPSGLWPMLW-UHFFFAOYSA-N
MW227.69 g/mol
LogP0.98
Rot. Bonds2

About 2-(2-chloro-6-methoxy-4-pyridinyl)piperazine

2-(2-chloro-6-methoxy-4-pyridinyl)piperazine (PubChem CID 89008904) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxy-4-pyridinyl)piperazine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxy-4-pyridinyl)piperazine
PubChem CID89008904
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-(2-chloro-6-methoxy-4-pyridinyl)piperazine
SMILESCOc1cc(C2CNCCN2)cc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-15-10-5-7(4-9(11)14-10)8-6-12-2-3-13-8/h4-5,8,12-13H,2-3,6H2,1H3
InChIKeyIWECCPSGLWPMLW-UHFFFAOYSA-N
XLogP0.98
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxy-4-pyridinyl)piperazine?
The IUPAC name of 2-(2-chloro-6-methoxy-4-pyridinyl)piperazine (CID 89008904) is 2-(2-chloro-6-methoxy-4-pyridinyl)piperazine.
What is the SMILES notation for 2-(2-chloro-6-methoxy-4-pyridinyl)piperazine?
The canonical SMILES for 2-(2-chloro-6-methoxy-4-pyridinyl)piperazine is COc1cc(C2CNCCN2)cc(Cl)n1.
What is the InChIKey of 2-(2-chloro-6-methoxy-4-pyridinyl)piperazine?
The InChIKey is IWECCPSGLWPMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-15-10-5-7(4-9(11)14-10)8-6-12-2-3-13-8/h4-5,8,12-13H,2-3,6H2,1H3.
What are the key properties of 2-(2-chloro-6-methoxy-4-pyridinyl)piperazine?
2-(2-chloro-6-methoxy-4-pyridinyl)piperazine has a molecular weight of 227.69 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxy-4-pyridinyl)piperazine is sourced from PubChem (CID 89008904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).