[3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride

C14H21Cl2N5O2 — CID 120752666

IUPAC[3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1nc(CN2CCC(Oc3ccccn3)CC2)no1
InChIInChI=1S/C14H19N5O2.2ClH/c15-9-14-17-12(18-21-14)10-19-7-4-11(5-8-19)20-13-3-1-2-6-16-13;;/h1-3,6,11H,4-5,7-10,15H2;2*1H
InChIKeyLWRBOWTVJDRIJQ-UHFFFAOYSA-N
MW362.26 g/mol
LogP1.81
Rot. Bonds5

About [3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride

[3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride (PubChem CID 120752666) has the molecular formula C14H21Cl2N5O2 and a molecular weight of 362.26 g/mol. Its IUPAC name is [3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
PubChem CID120752666
Molecular FormulaC14H21Cl2N5O2
Molecular Weight362.26 g/mol
Exact Mass361.11
IUPAC Name[3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1nc(CN2CCC(Oc3ccccn3)CC2)no1
InChIInChI=1S/C14H19N5O2.2ClH/c15-9-14-17-12(18-21-14)10-19-7-4-11(5-8-19)20-13-3-1-2-6-16-13;;/h1-3,6,11H,4-5,7-10,15H2;2*1H
InChIKeyLWRBOWTVJDRIJQ-UHFFFAOYSA-N
XLogP1.81
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride with MolForge

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Related Compounds

[3-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751593
5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 135106283
[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751532
[3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120753028
[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752482
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 120753091
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 120750699
2-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyridine
CID 172893124
[3-[[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752157
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752473
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride
CID 120752110
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079

Frequently Asked Questions

What is the IUPAC name of [3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride?
The IUPAC name of [3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride (CID 120752666) is [3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride.
What is the SMILES notation for [3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride?
The canonical SMILES for [3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride is Cl.Cl.NCc1nc(CN2CCC(Oc3ccccn3)CC2)no1.
What is the InChIKey of [3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride?
The InChIKey is LWRBOWTVJDRIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2.2ClH/c15-9-14-17-12(18-21-14)10-19-7-4-11(5-8-19)20-13-3-1-2-6-16-13;;/h1-3,6,11H,4-5,7-10,15H2;2*1H.
What are the key properties of [3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride?
[3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride has a molecular weight of 362.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-pyridin-2-yloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride is sourced from PubChem (CID 120752666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).