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

C17H17BrN2O — CID 66876144

IUPAC5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
SMILESBrc1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1
InChIInChI=1S/C17H17BrN2O/c18-15-4-5-17(20-12-15)21-16-3-1-2-14(11-16)10-13-6-8-19-9-7-13/h1-5,10-12,19H,6-9H2
InChIKeyAKTHYZZQSZJSGM-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.40
Rot. Bonds3

About 5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine

5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine (PubChem CID 66876144) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine.

Molecular Properties

Compound Name5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
PubChem CID66876144
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
SMILESBrc1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1
InChIInChI=1S/C17H17BrN2O/c18-15-4-5-17(20-12-15)21-16-3-1-2-14(11-16)10-13-6-8-19-9-7-13/h1-5,10-12,19H,6-9H2
InChIKeyAKTHYZZQSZJSGM-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

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Related Compounds

5-methyl-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;hydrochloride
CID 66876166
5-bromo-2-[3-[(3-methylpiperidin-4-ylidene)methyl]phenoxy]pyridine
CID 66884912
4-methyl-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
CID 66876956
3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
CID 160748973
4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]cyclohexan-1-one
CID 89463374
2-[4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1-pyridin-3-ylethanone;6-[3-[[4-(2-oxo-2-pyridin-3-ylethyl)cyclohexylidene]methyl]phenoxy]pyridine-3-carbonitrile
CID 159015399
2-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575217
4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 166076228
N-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66876335
4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylic acid
CID 66875745
tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate
CID 68948434
5-methyl-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 167665991

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine?
The IUPAC name of 5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine (CID 66876144) is 5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine.
What is the SMILES notation for 5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine?
The canonical SMILES for 5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine is Brc1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1.
What is the InChIKey of 5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine?
The InChIKey is AKTHYZZQSZJSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c18-15-4-5-17(20-12-15)21-16-3-1-2-14(11-16)10-13-6-8-19-9-7-13/h1-5,10-12,19H,6-9H2.
What are the key properties of 5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine?
5-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 5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine is sourced from PubChem (CID 66876144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).