1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol

C11H20N4O3 — CID 106959478

IUPAC1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
SMILESCOCCNCc1nnc(N2CCCC(O)C2)o1
InChIInChI=1S/C11H20N4O3/c1-17-6-4-12-7-10-13-14-11(18-10)15-5-2-3-9(16)8-15/h9,12,16H,2-8H2,1H3
InChIKeyJGHZUEXWAXRARG-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.23
Rot. Bonds6

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

1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol (PubChem CID 106959478) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
PubChem CID106959478
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
SMILESCOCCNCc1nnc(N2CCCC(O)C2)o1
InChIInChI=1S/C11H20N4O3/c1-17-6-4-12-7-10-13-14-11(18-10)15-5-2-3-9(16)8-15/h9,12,16H,2-8H2,1H3
InChIKeyJGHZUEXWAXRARG-UHFFFAOYSA-N
XLogP-0.23
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959475
1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpiperidine-3-carboxamide
CID 106965710
1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959479
1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol
CID 106960694
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106965698
N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106961108
[1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 106965906
N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106963724
N-[[5-(4-ethyl-4-methylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106960883
N-[[5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967372
N-[[5-[3-(methoxymethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106959508
N-[[5-(2-methyl-1,4-oxazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106961117

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol?
The IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol (CID 106959478) is 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol is COCCNCc1nnc(N2CCCC(O)C2)o1.
What is the InChIKey of 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol?
The InChIKey is JGHZUEXWAXRARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-17-6-4-12-7-10-13-14-11(18-10)15-5-2-3-9(16)8-15/h9,12,16H,2-8H2,1H3.
What are the key properties of 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol?
1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol has a molecular weight of 256.31 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol is sourced from PubChem (CID 106959478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).