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

C11H16BrN3 — CID 96944496

IUPAC(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine
SMILESCc1cc(Br)cnc1N1CCN[C@@H](C)C1
InChIInChI=1S/C11H16BrN3/c1-8-5-10(12)6-14-11(8)15-4-3-13-9(2)7-15/h5-6,9,13H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeyNTAWUWNRRZNQRL-VIFPVBQESA-N
MW270.17 g/mol
LogP1.95
Rot. Bonds1

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

(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine (PubChem CID 96944496) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine
PubChem CID96944496
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine
SMILESCc1cc(Br)cnc1N1CCN[C@@H](C)C1
InChIInChI=1S/C11H16BrN3/c1-8-5-10(12)6-14-11(8)15-4-3-13-9(2)7-15/h5-6,9,13H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeyNTAWUWNRRZNQRL-VIFPVBQESA-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

(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944499
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 79718833
(2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol
CID 70652178
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028
5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine
CID 112699044
4-(5-bromo-3-methyl-2-pyridinyl)-2-(chloromethyl)morpholine
CID 81210904
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanamine
CID 79717951
1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine
CID 79718223
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
2,5-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]pyrazine
CID 94450675

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine?
The IUPAC name of (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine (CID 96944496) is (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine.
What is the SMILES notation for (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine?
The canonical SMILES for (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine is Cc1cc(Br)cnc1N1CCN[C@@H](C)C1.
What is the InChIKey of (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine?
The InChIKey is NTAWUWNRRZNQRL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8-5-10(12)6-14-11(8)15-4-3-13-9(2)7-15/h5-6,9,13H,3-4,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine?
(3S)-1-(5-bromo-3-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 (3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine is sourced from PubChem (CID 96944496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).