1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine

C14H19NO — CID 11842168

IUPAC1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
SMILESc1ccc(C2OCCN3CCCCC23)cc1
InChIInChI=1S/C14H19NO/c1-2-6-12(7-3-1)14-13-8-4-5-9-15(13)10-11-16-14/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyNIBCANWBQBKMFI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.61
Rot. Bonds1

About 1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine

1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine (PubChem CID 11842168) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
PubChem CID11842168
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
SMILESc1ccc(C2OCCN3CCCCC23)cc1
InChIInChI=1S/C14H19NO/c1-2-6-12(7-3-1)14-13-8-4-5-9-15(13)10-11-16-14/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyNIBCANWBQBKMFI-UHFFFAOYSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine?
The IUPAC name of 1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine (CID 11842168) is 1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine.
What is the SMILES notation for 1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine?
The canonical SMILES for 1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine is c1ccc(C2OCCN3CCCCC23)cc1.
What is the InChIKey of 1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine?
The InChIKey is NIBCANWBQBKMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-6-12(7-3-1)14-13-8-4-5-9-15(13)10-11-16-14/h1-3,6-7,13-14H,4-5,8-11H2.
What are the key properties of 1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine?
1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine has a molecular weight of 217.31 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine is sourced from PubChem (CID 11842168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).