2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine

C14H23BrN4 — CID 79713125

IUPAC2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(c2ncc(Br)cc2C)CC1
InChIInChI=1S/C14H23BrN4/c1-3-13(9-16)18-4-6-19(7-5-18)14-11(2)8-12(15)10-17-14/h8,10,13H,3-7,9,16H2,1-2H3
InChIKeyBLCOLJFYKLDFQP-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.01
Rot. Bonds4

About 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine

2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine (PubChem CID 79713125) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
PubChem CID79713125
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(c2ncc(Br)cc2C)CC1
InChIInChI=1S/C14H23BrN4/c1-3-13(9-16)18-4-6-19(7-5-18)14-11(2)8-12(15)10-17-14/h8,10,13H,3-7,9,16H2,1-2H3
InChIKeyBLCOLJFYKLDFQP-UHFFFAOYSA-N
XLogP2.01
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine (CID 79713125) is 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine is CCC(CN)N1CCN(c2ncc(Br)cc2C)CC1.
What is the InChIKey of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The InChIKey is BLCOLJFYKLDFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-3-13(9-16)18-4-6-19(7-5-18)14-11(2)8-12(15)10-17-14/h8,10,13H,3-7,9,16H2,1-2H3.
What are the key properties of 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine?
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine has a molecular weight of 327.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 79713125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).