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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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).