[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol

C12H22N4O2 — CID 106837116

IUPAC[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
SMILESCC(C)(N)c1noc(CN2CCC(CO)CC2)n1
InChIInChI=1S/C12H22N4O2/c1-12(2,13)11-14-10(18-15-11)7-16-5-3-9(8-17)4-6-16/h9,17H,3-8,13H2,1-2H3
InChIKeyUMIHFAYQXFXKBP-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.47
Rot. Bonds4

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

[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol (PubChem CID 106837116) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
PubChem CID106837116
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
SMILESCC(C)(N)c1noc(CN2CCC(CO)CC2)n1
InChIInChI=1S/C12H22N4O2/c1-12(2,13)11-14-10(18-15-11)7-16-5-3-9(8-17)4-6-16/h9,17H,3-8,13H2,1-2H3
InChIKeyUMIHFAYQXFXKBP-UHFFFAOYSA-N
XLogP0.47
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol (CID 106837116) is [1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol is CC(C)(N)c1noc(CN2CCC(CO)CC2)n1.
What is the InChIKey of [1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is UMIHFAYQXFXKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,13)11-14-10(18-15-11)7-16-5-3-9(8-17)4-6-16/h9,17H,3-8,13H2,1-2H3.
What are the key properties of [1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol?
[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 254.33 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 106837116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).