2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol

C15H23N3O3 — CID 138016433

IUPAC2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol
SMILESOC(CNCC12COCCN1CCOC2)c1ccccn1
InChIInChI=1S/C15H23N3O3/c19-14(13-3-1-2-4-17-13)9-16-10-15-11-20-7-5-18(15)6-8-21-12-15/h1-4,14,16,19H,5-12H2
InChIKeyCMCQPZBWMGQOKX-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.19
Rot. Bonds5

About 2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol

2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol (PubChem CID 138016433) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol
PubChem CID138016433
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol
SMILESOC(CNCC12COCCN1CCOC2)c1ccccn1
InChIInChI=1S/C15H23N3O3/c19-14(13-3-1-2-4-17-13)9-16-10-15-11-20-7-5-18(15)6-8-21-12-15/h1-4,14,16,19H,5-12H2
InChIKeyCMCQPZBWMGQOKX-UHFFFAOYSA-N
XLogP-0.19
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol with MolForge

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Related Compounds

2-chloro-1-pyridin-2-ylethanol
CID 22145518
2-morpholin-4-yl-2-pyridin-2-ylethanol
CID 91095032
(2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium
CID 167327930
2-(2,5-dimethylanilino)-1-pyridin-2-ylethanol
CID 82044534
3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine
CID 75382516
N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide
CID 15581964
2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120558132
1,2-dipyridin-2-ylethanol
CID 11458306
2-(2,6-dimethylpiperidin-1-yl)-1-pyridin-2-ylethanol
CID 82216604
2-(4-methylpiperidin-1-yl)-1-pyridin-2-ylethanol
CID 82040271
5-hydroxy-N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]pyridine-2-carboxamide
CID 99941083
4-hydroxy-4-pyridin-2-ylbutanal
CID 54060730

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol?
The IUPAC name of 2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol (CID 138016433) is 2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol.
What is the SMILES notation for 2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol?
The canonical SMILES for 2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol is OC(CNCC12COCCN1CCOC2)c1ccccn1.
What is the InChIKey of 2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol?
The InChIKey is CMCQPZBWMGQOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-14(13-3-1-2-4-17-13)9-16-10-15-11-20-7-5-18(15)6-8-21-12-15/h1-4,14,16,19H,5-12H2.
What are the key properties of 2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol?
2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol has a molecular weight of 293.37 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethylamino)-1-pyridin-2-ylethanol is sourced from PubChem (CID 138016433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).