1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine

C12H17BrN4 — CID 66196786

IUPAC1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine
SMILESBrc1cccnc1N1CC(N2CCNCC2)C1
InChIInChI=1S/C12H17BrN4/c13-11-2-1-3-15-12(11)17-8-10(9-17)16-6-4-14-5-7-16/h1-3,10,14H,4-9H2
InChIKeyRUJBVHOIRTZHLK-UHFFFAOYSA-N
MW297.20 g/mol
LogP0.94
Rot. Bonds2

About 1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine

1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine (PubChem CID 66196786) has the molecular formula C12H17BrN4 and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine
PubChem CID66196786
Molecular FormulaC12H17BrN4
Molecular Weight297.20 g/mol
Exact Mass296.06
IUPAC Name1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine
SMILESBrc1cccnc1N1CC(N2CCNCC2)C1
InChIInChI=1S/C12H17BrN4/c13-11-2-1-3-15-12(11)17-8-10(9-17)16-6-4-14-5-7-16/h1-3,10,14H,4-9H2
InChIKeyRUJBVHOIRTZHLK-UHFFFAOYSA-N
XLogP0.94
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine (CID 66196786) is 1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine is Brc1cccnc1N1CC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine?
The InChIKey is RUJBVHOIRTZHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4/c13-11-2-1-3-15-12(11)17-8-10(9-17)16-6-4-14-5-7-16/h1-3,10,14H,4-9H2.
What are the key properties of 1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine?
1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine has a molecular weight of 297.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine is sourced from PubChem (CID 66196786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).