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

Analyze 1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride
CID 67324559
5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine
CID 63218652
2,2-dimethyl-1-pyridin-2-ylpiperazine
CID 55248494
3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine
CID 116972708
1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine
CID 65484601
4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136978401
4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 22328862
2-(2,2-dimethylpiperazin-1-yl)quinazoline
CID 114789478
5-bromo-2-(1,5-dihydropyrazol-2-yl)pyridine
CID 70976833
5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63464475
3-(5-bromo-2-pyridinyl)-1-oxa-3-azaspiro[3.3]heptane
CID 162710769
1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine
CID 104812324

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).