3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine

C11H20N4O2 — CID 79737522

IUPAC3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(Cc2ncon2)CC1
InChIInChI=1S/C11H20N4O2/c12-4-1-7-16-10-2-5-15(6-3-10)8-11-13-9-17-14-11/h9-10H,1-8,12H2
InChIKeyFIJPMUYWWSKWQP-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.40
Rot. Bonds6

About 3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine

3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 79737522) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
PubChem CID79737522
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(Cc2ncon2)CC1
InChIInChI=1S/C11H20N4O2/c12-4-1-7-16-10-2-5-15(6-3-10)8-11-13-9-17-14-11/h9-10H,1-8,12H2
InChIKeyFIJPMUYWWSKWQP-UHFFFAOYSA-N
XLogP0.40
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine (CID 79737522) is 3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine is NCCCOC1CCN(Cc2ncon2)CC1.
What is the InChIKey of 3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is FIJPMUYWWSKWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c12-4-1-7-16-10-2-5-15(6-3-10)8-11-13-9-17-14-11/h9-10H,1-8,12H2.
What are the key properties of 3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 240.31 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79737522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).