5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide

C14H21BrN4O — CID 22466416

IUPAC5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide
SMILESBr.c1cncc(C2=NC(CN3CCCCC3)CON2)c1
InChIInChI=1S/C14H20N4O.BrH/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12;/h4-6,9,13H,1-3,7-8,10-11H2,(H,16,17);1H
InChIKeyJHDYJJZPWVTMRM-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.80
Rot. Bonds3

About 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide

5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide (PubChem CID 22466416) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide
PubChem CID22466416
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide
SMILESBr.c1cncc(C2=NC(CN3CCCCC3)CON2)c1
InChIInChI=1S/C14H20N4O.BrH/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12;/h4-6,9,13H,1-3,7-8,10-11H2,(H,16,17);1H
InChIKeyJHDYJJZPWVTMRM-UHFFFAOYSA-N
XLogP1.80
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide with MolForge

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Related Compounds

5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine
CID 6421776
(3Z)-N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride;(3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-1-oxidopyridin-1-ium-3-carboximidoyl chloride;(3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride;5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine
CID 172920121
5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane
CID 71091055
2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 95849758
3-(3-piperidin-1-ylphenyl)pyridine
CID 166240155
2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 61068727
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
2-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 124751627
2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)-1-pyrrolidin-1-ylethanone
CID 110371859
piperidin-1-yl-[1-[(2-pyridin-3-ylphenyl)methyl]piperidin-4-yl]methanone
CID 134801404
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136673443

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide?
The IUPAC name of 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide (CID 22466416) is 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide is Br.c1cncc(C2=NC(CN3CCCCC3)CON2)c1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide?
The InChIKey is JHDYJJZPWVTMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.BrH/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12;/h4-6,9,13H,1-3,7-8,10-11H2,(H,16,17);1H.
What are the key properties of 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide?
5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide has a molecular weight of 341.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide is sourced from PubChem (CID 22466416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).