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

C12H21N3O2 — CID 115078517

IUPAC2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESCCN1CCCC(Cc2nc(CCO)no2)C1
InChIInChI=1S/C12H21N3O2/c1-2-15-6-3-4-10(9-15)8-12-13-11(5-7-16)14-17-12/h10,16H,2-9H2,1H3
InChIKeyRGCXJYSOSQEJKG-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.88
Rot. Bonds5

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

2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 115078517) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID115078517
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESCCN1CCCC(Cc2nc(CCO)no2)C1
InChIInChI=1S/C12H21N3O2/c1-2-15-6-3-4-10(9-15)8-12-13-11(5-7-16)14-17-12/h10,16H,2-9H2,1H3
InChIKeyRGCXJYSOSQEJKG-UHFFFAOYSA-N
XLogP0.88
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078590
3-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115078658
2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115080219
2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115078512
5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 115077247
2-[5-[(1,1-dioxothian-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078510
1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081200
3-[5-[(1-ethylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115077615
[1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol
CID 111442495
3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol
CID 25385068
N-methyl-1-[5-[(1-methylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078585
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol
CID 62357687

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol (CID 115078517) is 2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol is CCN1CCCC(Cc2nc(CCO)no2)C1.
What is the InChIKey of 2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is RGCXJYSOSQEJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-15-6-3-4-10(9-15)8-12-13-11(5-7-16)14-17-12/h10,16H,2-9H2,1H3.
What are the key properties of 2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 239.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 115078517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).