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

C10H16ClN3O2 — CID 106956508

IUPAC[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nnc(CCCl)o2)CC1
InChIInChI=1S/C10H16ClN3O2/c11-4-1-9-12-13-10(16-9)14-5-2-8(7-15)3-6-14/h8,15H,1-7H2
InChIKeySPWKWJIOYIQPQB-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.06
Rot. Bonds4

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

[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol (PubChem CID 106956508) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is [1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
PubChem CID106956508
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nnc(CCCl)o2)CC1
InChIInChI=1S/C10H16ClN3O2/c11-4-1-9-12-13-10(16-9)14-5-2-8(7-15)3-6-14/h8,15H,1-7H2
InChIKeySPWKWJIOYIQPQB-UHFFFAOYSA-N
XLogP1.06
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.06
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-aminoethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106968372
1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol
CID 106959217
2-(2-chloroethyl)-5-(3-propylpyrrolidin-1-yl)-1,3,4-oxadiazole
CID 106958438
[1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106968380
2-(2-chloroethyl)-5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106957615
2-(3-azabicyclo[4.1.0]heptan-3-yl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 164645456
2-(2-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
CID 106956316
2-(2-chloroethyl)-5-(4-ethyl-4-methylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106957628
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
2-[4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 106957559
2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106956310

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol (CID 106956508) is [1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nnc(CCCl)o2)CC1.
What is the InChIKey of [1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol?
The InChIKey is SPWKWJIOYIQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c11-4-1-9-12-13-10(16-9)14-5-2-8(7-15)3-6-14/h8,15H,1-7H2.
What are the key properties of [1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol?
[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol has a molecular weight of 245.71 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 106956508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).