2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C12H22N4O — CID 115081403

IUPAC2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(C)N1CCCCC1c1noc(CCN)n1
InChIInChI=1S/C12H22N4O/c1-9(2)16-8-4-3-5-10(16)12-14-11(6-7-13)17-15-12/h9-10H,3-8,13H2,1-2H3
InChIKeyIHHBFPHQCSADRL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.51
Rot. Bonds4

About 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 115081403) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID115081403
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(C)N1CCCCC1c1noc(CCN)n1
InChIInChI=1S/C12H22N4O/c1-9(2)16-8-4-3-5-10(16)12-14-11(6-7-13)17-15-12/h9-10H,3-8,13H2,1-2H3
InChIKeyIHHBFPHQCSADRL-UHFFFAOYSA-N
XLogP1.51
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 115081403) is 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CC(C)N1CCCCC1c1noc(CCN)n1.
What is the InChIKey of 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is IHHBFPHQCSADRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)16-8-4-3-5-10(16)12-14-11(6-7-13)17-15-12/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 115081403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).