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

C14H20N2O — CID 124833174

IUPAC(4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
SMILESc1ccc(CN2CC[C@@H]3OCCN[C@H]3C2)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/t13-,14-/m0/s1
InChIKeyNQOZBPSEWFZGRL-KBPBESRZSA-N
MW232.33 g/mol
LogP1.25
Rot. Bonds2

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

(4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine (PubChem CID 124833174) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name(4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
PubChem CID124833174
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
SMILESc1ccc(CN2CC[C@@H]3OCCN[C@H]3C2)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/t13-,14-/m0/s1
InChIKeyNQOZBPSEWFZGRL-KBPBESRZSA-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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Related Compounds

4-benzyl-2-piperidin-2-ylmorpholine
CID 82380108
(1R,6R)-3-benzyl-7-oxa-3-azabicyclo[4.2.0]octane
CID 71244864
(4aR,10aR)-2-benzyl-3,4,4a,10a-tetrahydro-1H-[1,4]benzodioxino[3,2-c]pyridine
CID 10378994
4-benzyl-2-(tetrazolidin-5-yl)morpholine
CID 138059153
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
CID 10853443
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 11356376
(6-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-4-yl)methanol
CID 83920140
(2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120941664
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;dihydrochloride
CID 44890942
1-benzyl-N-(2-morpholin-3-ylcyclopentyl)pyrrolidin-3-amine
CID 120914425
2-(1-benzylpiperidin-3-yl)oxan-4-amine
CID 130880845
(4aS,10bS)-2-benzyl-7-chloro-1,3,4,4a,6,10b-hexahydroisochromeno[4,3-c]pyridine;(4aS,10bR)-2-benzyl-7-chloro-1,3,4,4a,6,10b-hexahydroisochromeno[4,3-c]pyridine
CID 160758551

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
The IUPAC name of (4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine (CID 124833174) is (4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for (4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
The canonical SMILES for (4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine is c1ccc(CN2CC[C@@H]3OCCN[C@H]3C2)cc1.
What is the InChIKey of (4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
The InChIKey is NQOZBPSEWFZGRL-KBPBESRZSA-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/t13-,14-/m0/s1.
What are the key properties of (4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine?
(4aS,8aS)-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 (4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 124833174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).