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

C13H23N3O2 — CID 62021392

IUPAC2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
SMILESCCCc1nc(CN2CCCCC2CCO)no1
InChIInChI=1S/C13H23N3O2/c1-2-5-13-14-12(15-18-13)10-16-8-4-3-6-11(16)7-9-17/h11,17H,2-10H2,1H3
InChIKeyIFGMMYBSXIWVKV-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.76
Rot. Bonds6

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

2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol (PubChem CID 62021392) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
PubChem CID62021392
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
SMILESCCCc1nc(CN2CCCCC2CCO)no1
InChIInChI=1S/C13H23N3O2/c1-2-5-13-14-12(15-18-13)10-16-8-4-3-6-11(16)7-9-17/h11,17H,2-10H2,1H3
InChIKeyIFGMMYBSXIWVKV-UHFFFAOYSA-N
XLogP1.76
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanol
CID 110903092
2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62020461
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 61495823
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 61495787
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-yl]ethanol
CID 126805664
2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol
CID 111111627
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 62020463
[3-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 115079962
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62654263
3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467458

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol (CID 62021392) is 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol is CCCc1nc(CN2CCCCC2CCO)no1.
What is the InChIKey of 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol?
The InChIKey is IFGMMYBSXIWVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-5-13-14-12(15-18-13)10-16-8-4-3-6-11(16)7-9-17/h11,17H,2-10H2,1H3.
What are the key properties of 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol?
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol has a molecular weight of 253.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 62021392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).