2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol

C15H22N2O2 — CID 82986489

IUPAC2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCOC3CCCCC32)n1
InChIInChI=1S/C15H22N2O2/c1-11-6-7-14(18)12(16-11)10-17-8-9-19-15-5-3-2-4-13(15)17/h6-7,13,15,18H,2-5,8-10H2,1H3
InChIKeyANEKPGCPDAGAGL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.24
Rot. Bonds2

About 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol

2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol (PubChem CID 82986489) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol
PubChem CID82986489
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCOC3CCCCC32)n1
InChIInChI=1S/C15H22N2O2/c1-11-6-7-14(18)12(16-11)10-17-8-9-19-15-5-3-2-4-13(15)17/h6-7,13,15,18H,2-5,8-10H2,1H3
InChIKeyANEKPGCPDAGAGL-UHFFFAOYSA-N
XLogP2.24
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol?
The IUPAC name of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol (CID 82986489) is 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol.
What is the SMILES notation for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol?
The canonical SMILES for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol is Cc1ccc(O)c(CN2CCOC3CCCCC32)n1.
What is the InChIKey of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol?
The InChIKey is ANEKPGCPDAGAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-6-7-14(18)12(16-11)10-17-8-9-19-15-5-3-2-4-13(15)17/h6-7,13,15,18H,2-5,8-10H2,1H3.
What are the key properties of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol?
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol has a molecular weight of 262.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol is sourced from PubChem (CID 82986489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).