3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol

C16H22N4O2 — CID 70776784

IUPAC3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol
SMILESOC1(CNCc2noc(Cc3ccccc3)n2)CCCNC1
InChIInChI=1S/C16H22N4O2/c21-16(7-4-8-17-11-16)12-18-10-14-19-15(22-20-14)9-13-5-2-1-3-6-13/h1-3,5-6,17-18,21H,4,7-12H2
InChIKeyZVVSELFFZJURIL-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.86
Rot. Bonds6

About 3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol

3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol (PubChem CID 70776784) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol
PubChem CID70776784
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol
SMILESOC1(CNCc2noc(Cc3ccccc3)n2)CCCNC1
InChIInChI=1S/C16H22N4O2/c21-16(7-4-8-17-11-16)12-18-10-14-19-15(22-20-14)9-13-5-2-1-3-6-13/h1-3,5-6,17-18,21H,4,7-12H2
InChIKeyZVVSELFFZJURIL-UHFFFAOYSA-N
XLogP0.86
TPSA83.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol?
The IUPAC name of 3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol (CID 70776784) is 3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol.
What is the SMILES notation for 3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol?
The canonical SMILES for 3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol is OC1(CNCc2noc(Cc3ccccc3)n2)CCCNC1.
What is the InChIKey of 3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol?
The InChIKey is ZVVSELFFZJURIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-16(7-4-8-17-11-16)12-18-10-14-19-15(22-20-14)9-13-5-2-1-3-6-13/h1-3,5-6,17-18,21H,4,7-12H2.
What are the key properties of 3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol?
3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol has a molecular weight of 302.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]piperidin-3-ol is sourced from PubChem (CID 70776784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).