1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine

C11H16BrN3 — CID 170991997

IUPAC1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine
SMILESCC1(C)CN(c2cccc(Br)n2)CCN1
InChIInChI=1S/C11H16BrN3/c1-11(2)8-15(7-6-13-11)10-5-3-4-9(12)14-10/h3-5,13H,6-8H2,1-2H3
InChIKeyUGQONGAQZWPEAC-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.03
Rot. Bonds1

About 1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine

1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine (PubChem CID 170991997) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine
PubChem CID170991997
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine
SMILESCC1(C)CN(c2cccc(Br)n2)CCN1
InChIInChI=1S/C11H16BrN3/c1-11(2)8-15(7-6-13-11)10-5-3-4-9(12)14-10/h3-5,13H,6-8H2,1-2H3
InChIKeyUGQONGAQZWPEAC-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine (CID 170991997) is 1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine is CC1(C)CN(c2cccc(Br)n2)CCN1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine?
The InChIKey is UGQONGAQZWPEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-11(2)8-15(7-6-13-11)10-5-3-4-9(12)14-10/h3-5,13H,6-8H2,1-2H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine?
1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine has a molecular weight of 270.17 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-3,3-dimethylpiperazine is sourced from PubChem (CID 170991997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).