3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine

C17H17BrN2O — CID 160748973

IUPAC3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
SMILESBrc1cccnc1Oc1cccc(C=C2CCNCC2)c1
InChIInChI=1S/C17H17BrN2O/c18-16-5-2-8-20-17(16)21-15-4-1-3-14(12-15)11-13-6-9-19-10-7-13/h1-5,8,11-12,19H,6-7,9-10H2
InChIKeyRWOGZKYJVKNELN-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.40
Rot. Bonds3

About 3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine

3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine (PubChem CID 160748973) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine.

Molecular Properties

Compound Name3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
PubChem CID160748973
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
SMILESBrc1cccnc1Oc1cccc(C=C2CCNCC2)c1
InChIInChI=1S/C17H17BrN2O/c18-16-5-2-8-20-17(16)21-15-4-1-3-14(12-15)11-13-6-9-19-10-7-13/h1-5,8,11-12,19H,6-7,9-10H2
InChIKeyRWOGZKYJVKNELN-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-[3-(piperidin-4-ylidenemethyl)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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine?
The IUPAC name of 3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine (CID 160748973) is 3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine.
What is the SMILES notation for 3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine?
The canonical SMILES for 3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine is Brc1cccnc1Oc1cccc(C=C2CCNCC2)c1.
What is the InChIKey of 3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine?
The InChIKey is RWOGZKYJVKNELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c18-16-5-2-8-20-17(16)21-15-4-1-3-14(12-15)11-13-6-9-19-10-7-13/h1-5,8,11-12,19H,6-7,9-10H2.
What are the key properties of 3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine?
3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine has a molecular weight of 345.24 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine is sourced from PubChem (CID 160748973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).