1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine

C13H19BrN4 — CID 79718223

IUPAC1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine
SMILESCc1cc(Br)cnc1N1CCN(C2CNC2)CC1
InChIInChI=1S/C13H19BrN4/c1-10-6-11(14)7-16-13(10)18-4-2-17(3-5-18)12-8-15-9-12/h6-7,12,15H,2-5,8-9H2,1H3
InChIKeyGZHKRYDGMFKPSW-UHFFFAOYSA-N
MW311.23 g/mol
LogP1.25
Rot. Bonds2

About 1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine

1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine (PubChem CID 79718223) has the molecular formula C13H19BrN4 and a molecular weight of 311.23 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine
PubChem CID79718223
Molecular FormulaC13H19BrN4
Molecular Weight311.23 g/mol
Exact Mass310.08
IUPAC Name1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine
SMILESCc1cc(Br)cnc1N1CCN(C2CNC2)CC1
InChIInChI=1S/C13H19BrN4/c1-10-6-11(14)7-16-13(10)18-4-2-17(3-5-18)12-8-15-9-12/h6-7,12,15H,2-5,8-9H2,1H3
InChIKeyGZHKRYDGMFKPSW-UHFFFAOYSA-N
XLogP1.25
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine (CID 79718223) is 1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine is Cc1cc(Br)cnc1N1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine?
The InChIKey is GZHKRYDGMFKPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4/c1-10-6-11(14)7-16-13(10)18-4-2-17(3-5-18)12-8-15-9-12/h6-7,12,15H,2-5,8-9H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine?
1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine has a molecular weight of 311.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(5-bromo-3-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 79718223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).