5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole

C13H20N2O — CID 83849587

IUPAC5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole
SMILESCC1CCc2noc(C3CCCNC3)c2C1
InChIInChI=1S/C13H20N2O/c1-9-4-5-12-11(7-9)13(16-15-12)10-3-2-6-14-8-10/h9-10,14H,2-8H2,1H3
InChIKeyXOGDKGNJCHIPHQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.27
Rot. Bonds1

About 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole

5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole (PubChem CID 83849587) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole.

Molecular Properties

Compound Name5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole
PubChem CID83849587
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole
SMILESCC1CCc2noc(C3CCCNC3)c2C1
InChIInChI=1S/C13H20N2O/c1-9-4-5-12-11(7-9)13(16-15-12)10-3-2-6-14-8-10/h9-10,14H,2-8H2,1H3
InChIKeyXOGDKGNJCHIPHQ-UHFFFAOYSA-N
XLogP2.27
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole?
The IUPAC name of 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole (CID 83849587) is 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole.
What is the SMILES notation for 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole?
The canonical SMILES for 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole is CC1CCc2noc(C3CCCNC3)c2C1.
What is the InChIKey of 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole?
The InChIKey is XOGDKGNJCHIPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-5-12-11(7-9)13(16-15-12)10-3-2-6-14-8-10/h9-10,14H,2-8H2,1H3.
What are the key properties of 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole?
5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole has a molecular weight of 220.32 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole is sourced from PubChem (CID 83849587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).