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

C12H21N3O2 — CID 111106995

IUPAC1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol
SMILESCCc1noc(CN2CCCCC2C(C)O)n1
InChIInChI=1S/C12H21N3O2/c1-3-11-13-12(17-14-11)8-15-7-5-4-6-10(15)9(2)16/h9-10,16H,3-8H2,1-2H3
InChIKeyNJNZNDRBNUUMDY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.37
Rot. Bonds4

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

1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol (PubChem CID 111106995) 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)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol
PubChem CID111106995
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol
SMILESCCc1noc(CN2CCCCC2C(C)O)n1
InChIInChI=1S/C12H21N3O2/c1-3-11-13-12(17-14-11)8-15-7-5-4-6-10(15)9(2)16/h9-10,16H,3-8H2,1-2H3
InChIKeyNJNZNDRBNUUMDY-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol
CID 111106988
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79545540
1-[(2R)-2-[(2R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129426788
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255092
3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628
1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 111106894
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62654263
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 43440669
1-[1-(furan-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882688
[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol
CID 94145485
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63849645
3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95293109

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol (CID 111106995) is 1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol is CCc1noc(CN2CCCCC2C(C)O)n1.
What is the InChIKey of 1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol?
The InChIKey is NJNZNDRBNUUMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-11-13-12(17-14-11)8-15-7-5-4-6-10(15)9(2)16/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol?
1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol has a molecular weight of 239.32 g/mol, XLogP of 1.37, 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)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 111106995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).