5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine

C13H19BrN2O — CID 79717731

IUPAC5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine
SMILESCc1cc(Br)cnc1OCCC1CCCCN1
InChIInChI=1S/C13H19BrN2O/c1-10-8-11(14)9-16-13(10)17-7-5-12-4-2-3-6-15-12/h8-9,12,15H,2-7H2,1H3
InChIKeyWDULYLZTNDRDIL-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.06
Rot. Bonds4

About 5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine

5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine (PubChem CID 79717731) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine
PubChem CID79717731
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine
SMILESCc1cc(Br)cnc1OCCC1CCCCN1
InChIInChI=1S/C13H19BrN2O/c1-10-8-11(14)9-16-13(10)17-7-5-12-4-2-3-6-15-12/h8-9,12,15H,2-7H2,1H3
InChIKeyWDULYLZTNDRDIL-UHFFFAOYSA-N
XLogP3.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796828
3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine
CID 57061640
5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 71636389
(2S)-2-[2-(4-bromo-3-methylphenoxy)ethyl]piperidine
CID 86320194
(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
CID 86320905
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787
5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine
CID 138985890
4-ethoxy-2-methyl-6-(2-piperidin-2-ylethoxy)pyrimidine
CID 66333125
5-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642340
4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine
CID 115355534
4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62832639

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine?
The IUPAC name of 5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine (CID 79717731) is 5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine.
What is the SMILES notation for 5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine?
The canonical SMILES for 5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine is Cc1cc(Br)cnc1OCCC1CCCCN1.
What is the InChIKey of 5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine?
The InChIKey is WDULYLZTNDRDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-8-11(14)9-16-13(10)17-7-5-12-4-2-3-6-15-12/h8-9,12,15H,2-7H2,1H3.
What are the key properties of 5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine?
5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine has a molecular weight of 299.21 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine is sourced from PubChem (CID 79717731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).