1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine

C9H16N4O — CID 106402233

IUPAC1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESNC1CCN(CCc2ncno2)CC1
InChIInChI=1S/C9H16N4O/c10-8-1-4-13(5-2-8)6-3-9-11-7-12-14-9/h7-8H,1-6,10H2
InChIKeyCKLUSNMNZLHRHT-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.04
Rot. Bonds3

About 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine

1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (PubChem CID 106402233) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
PubChem CID106402233
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESNC1CCN(CCc2ncno2)CC1
InChIInChI=1S/C9H16N4O/c10-8-1-4-13(5-2-8)6-3-9-11-7-12-14-9/h7-8H,1-6,10H2
InChIKeyCKLUSNMNZLHRHT-UHFFFAOYSA-N
XLogP0.04
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (CID 106402233) is 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is NC1CCN(CCc2ncno2)CC1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The InChIKey is CKLUSNMNZLHRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-8-1-4-13(5-2-8)6-3-9-11-7-12-14-9/h7-8H,1-6,10H2.
What are the key properties of 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine has a molecular weight of 196.25 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 106402233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).