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

C12H21N3O3 — CID 111332747

IUPAC2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol
SMILESCc1noc(C2CCN(CCOCCO)CC2)n1
InChIInChI=1S/C12H21N3O3/c1-10-13-12(18-14-10)11-2-4-15(5-3-11)6-8-17-9-7-16/h11,16H,2-9H2,1H3
InChIKeyBNVOCMUJLCELPP-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.57
Rot. Bonds6

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

2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol (PubChem CID 111332747) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol
PubChem CID111332747
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol
SMILESCc1noc(C2CCN(CCOCCO)CC2)n1
InChIInChI=1S/C12H21N3O3/c1-10-13-12(18-14-10)11-2-4-15(5-3-11)6-8-17-9-7-16/h11,16H,2-9H2,1H3
InChIKeyBNVOCMUJLCELPP-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[1-(2-ethenoxyethyl)piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 167969051
5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 51087893
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
N-methyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 60570907
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128986563
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol
CID 111487555
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol
CID 110903115
2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]ethanol
CID 61069984
1-[[5-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70731405
2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol
CID 111439622
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol (CID 111332747) is 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol is Cc1noc(C2CCN(CCOCCO)CC2)n1.
What is the InChIKey of 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol?
The InChIKey is BNVOCMUJLCELPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-10-13-12(18-14-10)11-2-4-15(5-3-11)6-8-17-9-7-16/h11,16H,2-9H2,1H3.
What are the key properties of 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol?
2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol has a molecular weight of 255.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 111332747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).