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

C13H24N4O — CID 106960391

IUPAC2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(C)(C)C1CCN(c2nnc(CCN)o2)CC1
InChIInChI=1S/C13H24N4O/c1-13(2,3)10-5-8-17(9-6-10)12-16-15-11(18-12)4-7-14/h10H,4-9,14H2,1-3H3
InChIKeyQPOJWRDNTKGLMX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.83
Rot. Bonds3

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

2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106960391) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106960391
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(C)(C)C1CCN(c2nnc(CCN)o2)CC1
InChIInChI=1S/C13H24N4O/c1-13(2,3)10-5-8-17(9-6-10)12-16-15-11(18-12)4-7-14/h10H,4-9,14H2,1-3H3
InChIKeyQPOJWRDNTKGLMX-UHFFFAOYSA-N
XLogP1.83
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106968372
2-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962400
1-[5-(4-tert-butylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962132
2-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106968263
2-[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106959975
2-(4-tert-butylpiperidin-1-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 106957511
1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-ol
CID 106967902
N-[[5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106962492
2-[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 106969607
2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962581
N-[[5-(4-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106967471
[1-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 106965901

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106960391) is 2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(C)(C)C1CCN(c2nnc(CCN)o2)CC1.
What is the InChIKey of 2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is QPOJWRDNTKGLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,3)10-5-8-17(9-6-10)12-16-15-11(18-12)4-7-14/h10H,4-9,14H2,1-3H3.
What are the key properties of 2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106960391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).