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

C11H20N4O — CID 106960819

IUPAC1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(N2CCC(C)(C)CC2)o1
InChIInChI=1S/C11H20N4O/c1-8(12)9-13-14-10(16-9)15-6-4-11(2,3)5-7-15/h8H,4-7,12H2,1-3H3
InChIKeyNKLJGAJPYAJDAQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.72
Rot. Bonds2

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

1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106960819) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106960819
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(N2CCC(C)(C)CC2)o1
InChIInChI=1S/C11H20N4O/c1-8(12)9-13-14-10(16-9)15-6-4-11(2,3)5-7-15/h8H,4-7,12H2,1-3H3
InChIKeyNKLJGAJPYAJDAQ-UHFFFAOYSA-N
XLogP1.72
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962485
N-[1-[5-(4,4-dimethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106961747
1-[1-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-yl]ethanol
CID 106964033
1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106963222
2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 106956357
2-(chloromethyl)-5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106957613
1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-4-methylazepan-4-ol
CID 107409278
4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-1,4-diazepan-2-one
CID 106961846
1-[5-(2-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106969179
2-(2-chloroethyl)-5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106957615
1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106967755
4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
CID 139316134

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106960819) is 1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(N2CCC(C)(C)CC2)o1.
What is the InChIKey of 1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is NKLJGAJPYAJDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(12)9-13-14-10(16-9)15-6-4-11(2,3)5-7-15/h8H,4-7,12H2,1-3H3.
What are the key properties of 1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106960819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).