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

C12H21N3O2 — CID 111750179

IUPAC[1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol
SMILESCCc1noc(C(C)N2CCCC(CO)C2)n1
InChIInChI=1S/C12H21N3O2/c1-3-11-13-12(17-14-11)9(2)15-6-4-5-10(7-15)8-16/h9-10,16H,3-8H2,1-2H3
InChIKeyYELFSOMYWXMEMY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.40
Rot. Bonds4

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

[1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol (PubChem CID 111750179) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol
PubChem CID111750179
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol
SMILESCCc1noc(C(C)N2CCCC(CO)C2)n1
InChIInChI=1S/C12H21N3O2/c1-3-11-13-12(17-14-11)9(2)15-6-4-5-10(7-15)8-16/h9-10,16H,3-8H2,1-2H3
InChIKeyYELFSOMYWXMEMY-UHFFFAOYSA-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-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94405866
(3S)-1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-ol
CID 94000661
[1-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 51080710
2-cyclopentyl-1-[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]ethanone
CID 95327340
3-propyl-5-[(1R)-1-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 100841318
1-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488731
3-propyl-5-[(1S)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 100835877
5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513956
1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile
CID 48939790
2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95282589
(3R)-N-(cyclopropylmethyl)-1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 100840567
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanoic acid
CID 119135360

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol (CID 111750179) is [1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol is CCc1noc(C(C)N2CCCC(CO)C2)n1.
What is the InChIKey of [1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol?
The InChIKey is YELFSOMYWXMEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-11-13-12(17-14-11)9(2)15-6-4-5-10(7-15)8-16/h9-10,16H,3-8H2,1-2H3.
What are the key properties of [1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol?
[1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-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-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 111750179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).