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

C10H16ClN3O2 — CID 106958853

IUPAC[1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol
SMILESCC(Cl)c1nnc(N2CCCC(CO)C2)o1
InChIInChI=1S/C10H16ClN3O2/c1-7(11)9-12-13-10(16-9)14-4-2-3-8(5-14)6-15/h7-8,15H,2-6H2,1H3
InChIKeyKSVUMZTUVBKNSQ-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.58
Rot. Bonds3

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

[1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol (PubChem CID 106958853) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is [1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol
PubChem CID106958853
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name[1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol
SMILESCC(Cl)c1nnc(N2CCCC(CO)C2)o1
InChIInChI=1S/C10H16ClN3O2/c1-7(11)9-12-13-10(16-9)14-4-2-3-8(5-14)6-15/h7-8,15H,2-6H2,1H3
InChIKeyKSVUMZTUVBKNSQ-UHFFFAOYSA-N
XLogP1.58
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.58
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

2-(1-chloroethyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 106956357
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]-4-methylazepan-4-ol
CID 107409278
2-(1-chloroethyl)-5-(2-ethylazepan-1-yl)-1,3,4-oxadiazole
CID 106958564
[1-(5-methyl-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 175647955
[5-(3-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106969278
N-[[5-[3-(methoxymethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106959508
N-[1-[5-(4-propan-2-ylazepan-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106962236
N-[1-[5-(3-propylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 106964294
[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-3-yl]methanol
CID 81037157
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
N-methyl-1-[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106960047

Frequently Asked Questions

What is the IUPAC name of [1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol (CID 106958853) is [1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol is CC(Cl)c1nnc(N2CCCC(CO)C2)o1.
What is the InChIKey of [1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol?
The InChIKey is KSVUMZTUVBKNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-7(11)9-12-13-10(16-9)14-4-2-3-8(5-14)6-15/h7-8,15H,2-6H2,1H3.
What are the key properties of [1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol?
[1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol has a molecular weight of 245.71 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 106958853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).