2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine

C12H18BrN3O — CID 82692276

IUPAC2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine
SMILESNCCOC1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C12H18BrN3O/c13-10-1-2-12(15-9-10)16-6-3-11(4-7-16)17-8-5-14/h1-2,9,11H,3-8,14H2
InChIKeyJJOCDQBOCQFVMQ-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.79
Rot. Bonds4

About 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine

2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine (PubChem CID 82692276) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine
PubChem CID82692276
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine
SMILESNCCOC1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C12H18BrN3O/c13-10-1-2-12(15-9-10)16-6-3-11(4-7-16)17-8-5-14/h1-2,9,11H,3-8,14H2
InChIKeyJJOCDQBOCQFVMQ-UHFFFAOYSA-N
XLogP1.79
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine (CID 82692276) is 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine is NCCOC1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine?
The InChIKey is JJOCDQBOCQFVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c13-10-1-2-12(15-9-10)16-6-3-11(4-7-16)17-8-5-14/h1-2,9,11H,3-8,14H2.
What are the key properties of 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine?
2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine has a molecular weight of 300.20 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 82692276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).