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

C17H26N2O — CID 79931487

IUPAC1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1N1CC2CCCCN2CC1C
InChIInChI=1S/C17H26N2O/c1-13-11-18-10-6-5-7-15(18)12-19(13)17-9-4-3-8-16(17)14(2)20/h3-4,8-9,13-15,20H,5-7,10-12H2,1-2H3
InChIKeySYROESUEPCJZED-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds2

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

1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol (PubChem CID 79931487) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
PubChem CID79931487
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1N1CC2CCCCN2CC1C
InChIInChI=1S/C17H26N2O/c1-13-11-18-10-6-5-7-15(18)12-19(13)17-9-4-3-8-16(17)14(2)20/h3-4,8-9,13-15,20H,5-7,10-12H2,1-2H3
InChIKeySYROESUEPCJZED-UHFFFAOYSA-N
XLogP2.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol with MolForge

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Related Compounds

(1R)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-ol
CID 103960264
(1S)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959030
1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 115995355
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol
CID 63170127
(1S)-1-[3-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79921453
2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916181
2-(2,3-dichlorophenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925914
(1R)-1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]ethanol
CID 78941146
2-chloro-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)aniline
CID 104834718
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine
CID 104540566
2-bromo-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzoic acid
CID 114888336
(1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol
CID 63370963

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol?
The IUPAC name of 1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol (CID 79931487) is 1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol is CC(O)c1ccccc1N1CC2CCCCN2CC1C.
What is the InChIKey of 1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol?
The InChIKey is SYROESUEPCJZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-11-18-10-6-5-7-15(18)12-19(13)17-9-4-3-8-16(17)14(2)20/h3-4,8-9,13-15,20H,5-7,10-12H2,1-2H3.
What are the key properties of 1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol?
1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol has a molecular weight of 274.41 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol is sourced from PubChem (CID 79931487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).