6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine

C14H20N2O — CID 83487362

IUPAC6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
SMILESc1ccc(CN2CCC3OCCNC3C2)cc1
InChIInChI=1S/C14H20N2O/c1-2-4-12(5-3-1)10-16-8-6-14-13(11-16)15-7-9-17-14/h1-5,13-15H,6-11H2
InChIKeyNQOZBPSEWFZGRL-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.25
Rot. Bonds2

About 6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine

6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine (PubChem CID 83487362) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
PubChem CID83487362
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
SMILESc1ccc(CN2CCC3OCCNC3C2)cc1
InChIInChI=1S/C14H20N2O/c1-2-4-12(5-3-1)10-16-8-6-14-13(11-16)15-7-9-17-14/h1-5,13-15H,6-11H2
InChIKeyNQOZBPSEWFZGRL-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
The IUPAC name of 6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine (CID 83487362) is 6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for 6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
The canonical SMILES for 6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine is c1ccc(CN2CCC3OCCNC3C2)cc1.
What is the InChIKey of 6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
The InChIKey is NQOZBPSEWFZGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-4-12(5-3-1)10-16-8-6-14-13(11-16)15-7-9-17-14/h1-5,13-15H,6-11H2.
What are the key properties of 6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine has a molecular weight of 232.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 83487362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).