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

C11H19N3O2 — CID 115079897

IUPAC[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCC(C)N1CCC(c2noc(CO)n2)CC1
InChIInChI=1S/C11H19N3O2/c1-8(2)14-5-3-9(4-6-14)11-12-10(7-15)16-13-11/h8-9,15H,3-7H2,1-2H3
InChIKeyDGZPHRLPAMYPSA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.15
Rot. Bonds3

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

[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 115079897) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID115079897
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCC(C)N1CCC(c2noc(CO)n2)CC1
InChIInChI=1S/C11H19N3O2/c1-8(2)14-5-3-9(4-6-14)11-12-10(7-15)16-13-11/h8-9,15H,3-7H2,1-2H3
InChIKeyDGZPHRLPAMYPSA-UHFFFAOYSA-N
XLogP1.15
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080195
N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081288
3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081706
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol
CID 115093890
N-methyl-1-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115081078
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 115081859
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol
CID 107924486
2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080194
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 55216293

Frequently Asked Questions

What is the IUPAC name of [3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol (CID 115079897) is [3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol is CC(C)N1CCC(c2noc(CO)n2)CC1.
What is the InChIKey of [3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is DGZPHRLPAMYPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)14-5-3-9(4-6-14)11-12-10(7-15)16-13-11/h8-9,15H,3-7H2,1-2H3.
What are the key properties of [3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 225.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 115079897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).