2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole

C9H14ClN3O — CID 106956357

IUPAC2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(N2CCCCC2)o1
InChIInChI=1S/C9H14ClN3O/c1-7(10)8-11-12-9(14-8)13-5-3-2-4-6-13/h7H,2-6H2,1H3
InChIKeyPUKAWPLCBZTQEE-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.36
Rot. Bonds2

About 2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole

2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole (PubChem CID 106956357) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole
PubChem CID106956357
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(N2CCCCC2)o1
InChIInChI=1S/C9H14ClN3O/c1-7(10)8-11-12-9(14-8)13-5-3-2-4-6-13/h7H,2-6H2,1H3
InChIKeyPUKAWPLCBZTQEE-UHFFFAOYSA-N
XLogP2.36
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-4-methylazepan-4-ol
CID 107409278
2-(4-tert-butylpiperidin-1-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 106957511
[1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol
CID 106958853
1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-1,4-diazepan-5-one
CID 106957655
2-(1-chloroethyl)-5-(2-ethylazepan-1-yl)-1,3,4-oxadiazole
CID 106958564
4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
CID 139316134
4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylmorpholine
CID 106957235
1-[5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106960819
2-(1-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole
CID 106958625
N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106962236
2-(1-chloroethyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 16768064
4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-1,4-diazepan-2-one
CID 106961846

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole (CID 106956357) is 2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole is CC(Cl)c1nnc(N2CCCCC2)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole?
The InChIKey is PUKAWPLCBZTQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-7(10)8-11-12-9(14-8)13-5-3-2-4-6-13/h7H,2-6H2,1H3.
What are the key properties of 2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole?
2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole has a molecular weight of 215.68 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 106956357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).