3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine

C17H19BrN2O — CID 68851049

IUPAC3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine
SMILESBrc1ccc(CN2CCCCC2)c(Oc2cccnc2)c1
InChIInChI=1S/C17H19BrN2O/c18-15-7-6-14(13-20-9-2-1-3-10-20)17(11-15)21-16-5-4-8-19-12-16/h4-8,11-12H,1-3,9-10,13H2
InChIKeyXOTXKFZYUAXFGH-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.62
Rot. Bonds4

About 3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine

3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine (PubChem CID 68851049) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine.

Molecular Properties

Compound Name3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine
PubChem CID68851049
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine
SMILESBrc1ccc(CN2CCCCC2)c(Oc2cccnc2)c1
InChIInChI=1S/C17H19BrN2O/c18-15-7-6-14(13-20-9-2-1-3-10-20)17(11-15)21-16-5-4-8-19-12-16/h4-8,11-12H,1-3,9-10,13H2
InChIKeyXOTXKFZYUAXFGH-UHFFFAOYSA-N
XLogP4.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Bromophenoxy)-pyridine
CID 12673495
5-[(s)-2-Dimethylamino-3-phenyl-1-propyloxy]-2-chloro-3-bromo pyridine
CID 12112029
5-(Benzyloxy)-3,3'-bipyridine
CID 42628229
3-Benzyloxypyridine
CID 10012635
[(2E)-3-(4-bromophenyl)prop-2-en-1-yl][2-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)ethyl]amine
CID 10127292
3-Methyl-7-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 71457135
(2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine
CID 127027237
3-[(4-Bromophenyl)methoxy]pyridin-2-amine
CID 1485764
3-(Benzyloxy)-5-bromopyridine
CID 15389198
2-(3-Bromophenoxy)-3-(3-pyridin-4-ylpropoxy)pyridine
CID 9800266
2-(3-Bromophenoxy)-3-[3-(3-hydroxypyridin-4-yl)propoxy]pyridine
CID 9952863
3-(Benzyloxy)-2-bromopyridine
CID 10778000

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine?
The IUPAC name of 3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine (CID 68851049) is 3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine.
What is the SMILES notation for 3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine?
The canonical SMILES for 3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine is Brc1ccc(CN2CCCCC2)c(Oc2cccnc2)c1.
What is the InChIKey of 3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine?
The InChIKey is XOTXKFZYUAXFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c18-15-7-6-14(13-20-9-2-1-3-10-20)17(11-15)21-16-5-4-8-19-12-16/h4-8,11-12H,1-3,9-10,13H2.
What are the key properties of 3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine?
3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine has a molecular weight of 347.26 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine is sourced from PubChem (CID 68851049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).