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

C12H21N3O2 — CID 94405866

IUPAC[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
SMILESCCc1noc([C@@H](C)N2CCC(CO)CC2)n1
InChIInChI=1S/C12H21N3O2/c1-3-11-13-12(17-14-11)9(2)15-6-4-10(8-16)5-7-15/h9-10,16H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyUEJDINQZVHXLGI-SECBINFHSA-N
MW239.32 g/mol
LogP1.40
Rot. Bonds4

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

[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol (PubChem CID 94405866) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
PubChem CID94405866
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
SMILESCCc1noc([C@@H](C)N2CCC(CO)CC2)n1
InChIInChI=1S/C12H21N3O2/c1-3-11-13-12(17-14-11)9(2)15-6-4-10(8-16)5-7-15/h9-10,16H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyUEJDINQZVHXLGI-SECBINFHSA-N
XLogP1.40
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 51080710
[1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol
CID 111750179
[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94087324
5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 75805432
[1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 56812956
1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile
CID 48939790
1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000693
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanoic acid
CID 119135360
3-ethyl-5-[(1R)-1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95285931
2-cyclopentyl-1-[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]ethanone
CID 95327340
1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119880709
1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol
CID 111461981

Frequently Asked Questions

What is the IUPAC name of [1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol (CID 94405866) is [1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol is CCc1noc([C@@H](C)N2CCC(CO)CC2)n1.
What is the InChIKey of [1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol?
The InChIKey is UEJDINQZVHXLGI-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-11-13-12(17-14-11)9(2)15-6-4-10(8-16)5-7-15/h9-10,16H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of [1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol?
[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol has a molecular weight of 239.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 94405866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).