(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine

C11H16BrN3 — CID 96944499

IUPAC(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
SMILESCc1cnc(N2CCN[C@H](C)C2)c(Br)c1
InChIInChI=1S/C11H16BrN3/c1-8-5-10(12)11(14-6-8)15-4-3-13-9(2)7-15/h5-6,9,13H,3-4,7H2,1-2H3/t9-/m1/s1
InChIKeyAWNYTZGBHKCOKN-SECBINFHSA-N
MW270.17 g/mol
LogP1.95
Rot. Bonds1

About (3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine

(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine (PubChem CID 96944499) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is (3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
PubChem CID96944499
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
SMILESCc1cnc(N2CCN[C@H](C)C2)c(Br)c1
InChIInChI=1S/C11H16BrN3/c1-8-5-10(12)11(14-6-8)15-4-3-13-9(2)7-15/h5-6,9,13H,3-4,7H2,1-2H3/t9-/m1/s1
InChIKeyAWNYTZGBHKCOKN-SECBINFHSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944496
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
CID 105367629
4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 105367904
4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
CID 105368114
4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 105367957
1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol
CID 131165420
1-(3-bromo-2-pyridinyl)-3-methylpiperazine
CID 62478564
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532
1-(3-bromo-5-methyl-2-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 105367921

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine?
The IUPAC name of (3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine (CID 96944499) is (3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine?
The canonical SMILES for (3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine is Cc1cnc(N2CCN[C@H](C)C2)c(Br)c1.
What is the InChIKey of (3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine?
The InChIKey is AWNYTZGBHKCOKN-SECBINFHSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8-5-10(12)11(14-6-8)15-4-3-13-9(2)7-15/h5-6,9,13H,3-4,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine?
(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine has a molecular weight of 270.17 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine is sourced from PubChem (CID 96944499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).