1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine

C8H14N4O — CID 61296338

IUPAC1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine
SMILESNC1CCCN(Cc2ncon2)C1
InChIInChI=1S/C8H14N4O/c9-7-2-1-3-12(4-7)5-8-10-6-13-11-8/h6-7H,1-5,9H2
InChIKeyPDVWPWSCVDNBJB-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.01
Rot. Bonds2

About 1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine

1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine (PubChem CID 61296338) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine
PubChem CID61296338
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine
SMILESNC1CCCN(Cc2ncon2)C1
InChIInChI=1S/C8H14N4O/c9-7-2-1-3-12(4-7)5-8-10-6-13-11-8/h6-7H,1-5,9H2
InChIKeyPDVWPWSCVDNBJB-UHFFFAOYSA-N
XLogP-0.01
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine?
The IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine (CID 61296338) is 1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine is NC1CCCN(Cc2ncon2)C1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine?
The InChIKey is PDVWPWSCVDNBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-7-2-1-3-12(4-7)5-8-10-6-13-11-8/h6-7H,1-5,9H2.
What are the key properties of 1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine?
1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine has a molecular weight of 182.23 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 61296338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).