2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine

C14H23BrN4 — CID 63339651

IUPAC2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H23BrN4/c1-2-3-13(10-16)18-6-8-19(9-7-18)14-5-4-12(15)11-17-14/h4-5,11,13H,2-3,6-10,16H2,1H3
InChIKeyYUYQVLMFEAZTDK-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.09
Rot. Bonds5

About 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine (PubChem CID 63339651) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
PubChem CID63339651
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H23BrN4/c1-2-3-13(10-16)18-6-8-19(9-7-18)14-5-4-12(15)11-17-14/h4-5,11,13H,2-3,6-10,16H2,1H3
InChIKeyYUYQVLMFEAZTDK-UHFFFAOYSA-N
XLogP2.09
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.09
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-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine (CID 63339651) is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine is CCCC(CN)N1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is YUYQVLMFEAZTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-2-3-13(10-16)18-6-8-19(9-7-18)14-5-4-12(15)11-17-14/h4-5,11,13H,2-3,6-10,16H2,1H3.
What are the key properties of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine?
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 327.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 63339651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).