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

C11H18ClN3O2 — CID 106959217

IUPAC1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2nnc(CCCl)o2)CC1
InChIInChI=1S/C11H18ClN3O2/c1-8(16)9-3-6-15(7-4-9)11-14-13-10(17-11)2-5-12/h8-9,16H,2-7H2,1H3
InChIKeyVCNCHVFFPBOXED-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.45
Rot. Bonds4

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

1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol (PubChem CID 106959217) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol
PubChem CID106959217
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2nnc(CCCl)o2)CC1
InChIInChI=1S/C11H18ClN3O2/c1-8(16)9-3-6-15(7-4-9)11-14-13-10(17-11)2-5-12/h8-9,16H,2-7H2,1H3
InChIKeyVCNCHVFFPBOXED-UHFFFAOYSA-N
XLogP1.45
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106956508
2-(2-chloroethyl)-5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106957615
2-(2-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
CID 106956316
2-(2-chloroethyl)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3,4-oxadiazole
CID 106958049
2-(2-chloroethyl)-5-(3-propylpyrrolidin-1-yl)-1,3,4-oxadiazole
CID 106958438
2-(3-azabicyclo[4.1.0]heptan-3-yl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 164645456
2-(2-chloroethyl)-5-(4-ethyl-4-methylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106957628
2-[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-5-propyl-1,3,4-oxadiazole
CID 97209007
N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106967346
(1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol
CID 97208136
2-(2-chloroethyl)-5-(2,6-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole
CID 106957832
2-(2-chloroethyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,4-oxadiazole
CID 106959086

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol (CID 106959217) is 1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol is CC(O)C1CCN(c2nnc(CCCl)o2)CC1.
What is the InChIKey of 1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol?
The InChIKey is VCNCHVFFPBOXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-8(16)9-3-6-15(7-4-9)11-14-13-10(17-11)2-5-12/h8-9,16H,2-7H2,1H3.
What are the key properties of 1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol?
1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol has a molecular weight of 259.74 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106959217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).