1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine

C11H16BrN3 — CID 63595100

IUPAC1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1c1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3/c1-11(2)8-13-5-6-15(11)10-4-3-9(12)7-14-10/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyHAKYTEYLUOOVON-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.03
Rot. Bonds1

About 1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine

1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine (PubChem CID 63595100) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine
PubChem CID63595100
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1c1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3/c1-11(2)8-13-5-6-15(11)10-4-3-9(12)7-14-10/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyHAKYTEYLUOOVON-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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine (CID 63595100) is 1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine is CC1(C)CNCCN1c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine?
The InChIKey is HAKYTEYLUOOVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-11(2)8-13-5-6-15(11)10-4-3-9(12)7-14-10/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine?
1-(5-bromo-2-pyridinyl)-2,2-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-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine is sourced from PubChem (CID 63595100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).