2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine

C11H16BrClN4 — CID 103582181

IUPAC2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C11H16BrClN4/c12-9-7-10(13)11(15-8-9)17-5-3-16(2-1-14)4-6-17/h7-8H,1-6,14H2
InChIKeyLKKDMGCYRIDZPN-UHFFFAOYSA-N
MW319.63 g/mol
LogP1.58
Rot. Bonds3

About 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine

2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine (PubChem CID 103582181) has the molecular formula C11H16BrClN4 and a molecular weight of 319.63 g/mol. Its IUPAC name is 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
PubChem CID103582181
Molecular FormulaC11H16BrClN4
Molecular Weight319.63 g/mol
Exact Mass318.02
IUPAC Name2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C11H16BrClN4/c12-9-7-10(13)11(15-8-9)17-5-3-16(2-1-14)4-6-17/h7-8H,1-6,14H2
InChIKeyLKKDMGCYRIDZPN-UHFFFAOYSA-N
XLogP1.58
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 51.58
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-chloro-2-pyridinyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine (CID 103582181) is 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine is NCCN1CCN(c2ncc(Br)cc2Cl)CC1.
What is the InChIKey of 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine?
The InChIKey is LKKDMGCYRIDZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN4/c12-9-7-10(13)11(15-8-9)17-5-3-16(2-1-14)4-6-17/h7-8H,1-6,14H2.
What are the key properties of 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine?
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine has a molecular weight of 319.63 g/mol, XLogP of 1.58, 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-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 103582181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).