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

C15H19N3O2 — CID 164636226

IUPAC[(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(c2nnc(Cc3ccccc3)o2)C1
InChIInChI=1S/C15H19N3O2/c19-11-13-7-4-8-18(10-13)15-17-16-14(20-15)9-12-5-2-1-3-6-12/h1-3,5-6,13,19H,4,7-11H2/t13-/m0/s1
InChIKeyLSEUZWJLWFXSPG-ZDUSSCGKSA-N
MW273.34 g/mol
LogP1.87
Rot. Bonds4

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

[(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol (PubChem CID 164636226) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol
PubChem CID164636226
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(c2nnc(Cc3ccccc3)o2)C1
InChIInChI=1S/C15H19N3O2/c19-11-13-7-4-8-18(10-13)15-17-16-14(20-15)9-12-5-2-1-3-6-12/h1-3,5-6,13,19H,4,7-11H2/t13-/m0/s1
InChIKeyLSEUZWJLWFXSPG-ZDUSSCGKSA-N
XLogP1.87
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol (CID 164636226) is [(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol is OC[C@H]1CCCN(c2nnc(Cc3ccccc3)o2)C1.
What is the InChIKey of [(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol?
The InChIKey is LSEUZWJLWFXSPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-11-13-7-4-8-18(10-13)15-17-16-14(20-15)9-12-5-2-1-3-6-12/h1-3,5-6,13,19H,4,7-11H2/t13-/m0/s1.
What are the key properties of [(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol?
[(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol has a molecular weight of 273.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 164636226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).