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

C13H19BrN4 — CID 106876171

IUPAC1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine
SMILESCc1ccnc(N2CCN(C3CNC3)CC2)c1Br
InChIInChI=1S/C13H19BrN4/c1-10-2-3-16-13(12(10)14)18-6-4-17(5-7-18)11-8-15-9-11/h2-3,11,15H,4-9H2,1H3
InChIKeyPRQGRUKVGUXKPN-UHFFFAOYSA-N
MW311.23 g/mol
LogP1.25
Rot. Bonds2

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

1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine (PubChem CID 106876171) has the molecular formula C13H19BrN4 and a molecular weight of 311.23 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine
PubChem CID106876171
Molecular FormulaC13H19BrN4
Molecular Weight311.23 g/mol
Exact Mass310.08
IUPAC Name1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine
SMILESCc1ccnc(N2CCN(C3CNC3)CC2)c1Br
InChIInChI=1S/C13H19BrN4/c1-10-2-3-16-13(12(10)14)18-6-4-17(5-7-18)11-8-15-9-11/h2-3,11,15H,4-9H2,1H3
InChIKeyPRQGRUKVGUXKPN-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-(3-bromo-4-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine (CID 106876171) is 1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine is Cc1ccnc(N2CCN(C3CNC3)CC2)c1Br.
What is the InChIKey of 1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine?
The InChIKey is PRQGRUKVGUXKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4/c1-10-2-3-16-13(12(10)14)18-6-4-17(5-7-18)11-8-15-9-11/h2-3,11,15H,4-9H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-(3-bromo-4-methyl-2-pyridinyl)piperazine?
1-(azetidin-3-yl)-4-(3-bromo-4-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-(3-bromo-4-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 106876171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).