5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride

C12H18BrClN2O — CID 71636389

IUPAC5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
SMILESBrc1ccc(OCCC2CCCCN2)nc1.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c13-10-4-5-12(15-9-10)16-8-6-11-3-1-2-7-14-11;/h4-5,9,11,14H,1-3,6-8H2;1H
InChIKeyNGIGSGLVHRWCKV-UHFFFAOYSA-N
MW321.65 g/mol
LogP3.18
Rot. Bonds4

About 5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride

5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride (PubChem CID 71636389) has the molecular formula C12H18BrClN2O and a molecular weight of 321.65 g/mol. Its IUPAC name is 5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
PubChem CID71636389
Molecular FormulaC12H18BrClN2O
Molecular Weight321.65 g/mol
Exact Mass320.03
IUPAC Name5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
SMILESBrc1ccc(OCCC2CCCCN2)nc1.Cl
InChIInChI=1S/C12H17BrN2O.ClH/c13-10-4-5-12(15-9-10)16-8-6-11-3-1-2-7-14-11;/h4-5,9,11,14H,1-3,6-8H2;1H
InChIKeyNGIGSGLVHRWCKV-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 62347925
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CID 86320905
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine
CID 79717731
2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride
CID 56829706
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CID 62359871
3-(2-piperidin-2-ylethoxy)pyridazine
CID 62483689
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402
5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796828
4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586374
2-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrazine
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(2S)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321565

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride?
The IUPAC name of 5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride (CID 71636389) is 5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride.
What is the SMILES notation for 5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride?
The canonical SMILES for 5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride is Brc1ccc(OCCC2CCCCN2)nc1.Cl.
What is the InChIKey of 5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride?
The InChIKey is NGIGSGLVHRWCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O.ClH/c13-10-4-5-12(15-9-10)16-8-6-11-3-1-2-7-14-11;/h4-5,9,11,14H,1-3,6-8H2;1H.
What are the key properties of 5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride?
5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride has a molecular weight of 321.65 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride is sourced from PubChem (CID 71636389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).