1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone

C17H24N2O2 — CID 79922071

IUPAC1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC3CCCCN3CC2C)cc1O
InChIInChI=1S/C17H24N2O2/c1-12-10-18-8-4-3-5-15(18)11-19(12)14-6-7-16(13(2)20)17(21)9-14/h6-7,9,12,15,21H,3-5,8,10-11H2,1-2H3
InChIKeyBUYATGUYBQTMQB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.66
Rot. Bonds2

About 1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone

1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone (PubChem CID 79922071) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone
PubChem CID79922071
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC3CCCCN3CC2C)cc1O
InChIInChI=1S/C17H24N2O2/c1-12-10-18-8-4-3-5-15(18)11-19(12)14-6-7-16(13(2)20)17(21)9-14/h6-7,9,12,15,21H,3-5,8,10-11H2,1-2H3
InChIKeyBUYATGUYBQTMQB-UHFFFAOYSA-N
XLogP2.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone
CID 79921870
1-[4-(2,4-dimethyl-1,4-diazepan-1-yl)-2-hydroxyphenyl]ethanone
CID 114086882
1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone
CID 79601097
2-(4-chloro-3-fluorophenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926232
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)aniline
CID 79931599
3-methyl-2-(4-pyrrolidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922744
1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone
CID 83056595
6-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79920483
3-methyl-2-(4-propylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926456
1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone
CID 79601018
[2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methanol
CID 79943471
6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-benzothiazole
CID 107806626

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone (CID 79922071) is 1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone is CC(=O)c1ccc(N2CC3CCCCN3CC2C)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone?
The InChIKey is BUYATGUYBQTMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-10-18-8-4-3-5-15(18)11-19(12)14-6-7-16(13(2)20)17(21)9-14/h6-7,9,12,15,21H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone?
1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone is sourced from PubChem (CID 79922071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).