6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol

C15H22N2O — CID 83669932

IUPAC6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol
SMILESOC12CCNCC1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H22N2O/c18-15-7-8-16-10-14(15)6-9-17(12-15)11-13-4-2-1-3-5-13/h1-5,14,16,18H,6-12H2
InChIKeyLNTFKSOSYKNZGA-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.23
Rot. Bonds2

About 6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol

6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol (PubChem CID 83669932) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol.

Molecular Properties

Compound Name6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol
PubChem CID83669932
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol
SMILESOC12CCNCC1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H22N2O/c18-15-7-8-16-10-14(15)6-9-17(12-15)11-13-4-2-1-3-5-13/h1-5,14,16,18H,6-12H2
InChIKeyLNTFKSOSYKNZGA-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol with MolForge

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Related Compounds

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CID 113247774
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CID 130510441
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CID 34178522
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane
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CID 79321420
2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane
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7-benzyl-7-azaspiro[4.5]decan-10-ol
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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol?
The IUPAC name of 6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol (CID 83669932) is 6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol.
What is the SMILES notation for 6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol?
The canonical SMILES for 6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol is OC12CCNCC1CCN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol?
The InChIKey is LNTFKSOSYKNZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-15-7-8-16-10-14(15)6-9-17(12-15)11-13-4-2-1-3-5-13/h1-5,14,16,18H,6-12H2.
What are the key properties of 6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol?
6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol has a molecular weight of 246.35 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol is sourced from PubChem (CID 83669932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).