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

C11H17BrN4 — CID 60869692

IUPAC2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C11H17BrN4/c12-10-1-2-11(14-9-10)16-7-5-15(4-3-13)6-8-16/h1-2,9H,3-8,13H2
InChIKeyLFFDBQKTTBNRTG-UHFFFAOYSA-N
MW285.19 g/mol
LogP0.92
Rot. Bonds3

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

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine (PubChem CID 60869692) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
PubChem CID60869692
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C11H17BrN4/c12-10-1-2-11(14-9-10)16-7-5-15(4-3-13)6-8-16/h1-2,9H,3-8,13H2
InChIKeyLFFDBQKTTBNRTG-UHFFFAOYSA-N
XLogP0.92
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(5-bromo-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870254
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl acetate
CID 91886723
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine
CID 82692276
[3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752650
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
CID 103582181
4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 43252517
1-(5-bromo-2-pyridinyl)-4-[(3,3-difluorocyclobutyl)methyl]piperazine
CID 165431407
3-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 37408899

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine (CID 60869692) is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine is NCCN1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine?
The InChIKey is LFFDBQKTTBNRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c12-10-1-2-11(14-9-10)16-7-5-15(4-3-13)6-8-16/h1-2,9H,3-8,13H2.
What are the key properties of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine?
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine has a molecular weight of 285.19 g/mol, XLogP of 0.92, 3 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]ethanamine is sourced from PubChem (CID 60869692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).