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

C12H21N3O3 — CID 111442495

IUPAC[1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol
SMILESCOCCc1noc(CN2CCCC(CO)C2)n1
InChIInChI=1S/C12H21N3O3/c1-17-6-4-11-13-12(18-14-11)8-15-5-2-3-10(7-15)9-16/h10,16H,2-9H2,1H3
InChIKeyXPHPLHDLKLTKKO-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.46
Rot. Bonds6

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

[1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol (PubChem CID 111442495) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is [1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol
PubChem CID111442495
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name[1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol
SMILESCOCCc1noc(CN2CCCC(CO)C2)n1
InChIInChI=1S/C12H21N3O3/c1-17-6-4-11-13-12(18-14-11)8-15-5-2-3-10(7-15)9-16/h10,16H,2-9H2,1H3
InChIKeyXPHPLHDLKLTKKO-UHFFFAOYSA-N
XLogP0.46
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4R)-4-(hydroxymethyl)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 56884679
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanol
CID 62021565
[(4aS,6R,7aS)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol
CID 172896821
3-benzyl-5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42395337
2-hydroxy-1-[6-hydroxy-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 74245034
3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol
CID 25385068
3-(cyclopropylmethyl)-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 45214637
3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 91829876
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-3-yl]methanol
CID 66190165
methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038420
3-(2-methoxyethyl)-5-[(3-pyridin-4-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 56880364
2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078517

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol (CID 111442495) is [1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol is COCCc1noc(CN2CCCC(CO)C2)n1.
What is the InChIKey of [1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is XPHPLHDLKLTKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-17-6-4-11-13-12(18-14-11)8-15-5-2-3-10(7-15)9-16/h10,16H,2-9H2,1H3.
What are the key properties of [1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol?
[1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 255.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 111442495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).