[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

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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).