1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol

C11H20N4O2 — CID 114218079

IUPAC1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2noc(CN)n2)CC1
InChIInChI=1S/C11H20N4O2/c1-8(16)9-2-4-15(5-3-9)7-10-13-11(6-12)17-14-10/h8-9,16H,2-7,12H2,1H3
InChIKeyWCESBUPZRDDFOY-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.12
Rot. Bonds4

About 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol

1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol (PubChem CID 114218079) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
PubChem CID114218079
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2noc(CN)n2)CC1
InChIInChI=1S/C11H20N4O2/c1-8(16)9-2-4-15(5-3-9)7-10-13-11(6-12)17-14-10/h8-9,16H,2-7,12H2,1H3
InChIKeyWCESBUPZRDDFOY-UHFFFAOYSA-N
XLogP0.12
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 103656955
1-[1-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 111114040
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-N-ethylethanamine
CID 120752659
[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751873
[3-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751593
2-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 120752852
[3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752786
[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750400
1-[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethanol
CID 111113774
[3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752368
[3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752876
[3-[[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120753028

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol (CID 114218079) is 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2noc(CN)n2)CC1.
What is the InChIKey of 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol?
The InChIKey is WCESBUPZRDDFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(16)9-2-4-15(5-3-9)7-10-13-11(6-12)17-14-10/h8-9,16H,2-7,12H2,1H3.
What are the key properties of 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol?
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol has a molecular weight of 240.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 114218079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).