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

C13H23N3O3 — CID 111434585

IUPAC[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
SMILESCCOC(C)c1noc(CN2CCCCC2CO)n1
InChIInChI=1S/C13H23N3O3/c1-3-18-10(2)13-14-12(19-15-13)8-16-7-5-4-6-11(16)9-17/h10-11,17H,3-9H2,1-2H3
InChIKeyGLTBRCXSIIPDTF-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds6

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

[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol (PubChem CID 111434585) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
PubChem CID111434585
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
SMILESCCOC(C)c1noc(CN2CCCCC2CO)n1
InChIInChI=1S/C13H23N3O3/c1-3-18-10(2)13-14-12(19-15-13)8-16-7-5-4-6-11(16)9-17/h10-11,17H,3-9H2,1-2H3
InChIKeyGLTBRCXSIIPDTF-UHFFFAOYSA-N
XLogP1.51
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol
CID 94145485
3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129461066
3-(1-ethoxyethyl)-5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 166210681
(3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 111434623
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63848184
3-[(1S)-1-ethoxyethyl]-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129330703
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 63849733
2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111518023
2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 63848029
2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489365
[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62015735
[1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanol
CID 110903092

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol (CID 111434585) is [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol is CCOC(C)c1noc(CN2CCCCC2CO)n1.
What is the InChIKey of [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol?
The InChIKey is GLTBRCXSIIPDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-18-10(2)13-14-12(19-15-13)8-16-7-5-4-6-11(16)9-17/h10-11,17H,3-9H2,1-2H3.
What are the key properties of [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol?
[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 269.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 111434585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).