2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C18H28N2O — CID 79916856

IUPAC2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCOCC(C)N1CC2CCCCN2CC1c1ccccc1
InChIInChI=1S/C18H28N2O/c1-15(14-21-2)20-12-17-10-6-7-11-19(17)13-18(20)16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3
InChIKeyZSMOERMKGZRZOZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.93
Rot. Bonds4

About 2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79916856) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79916856
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCOCC(C)N1CC2CCCCN2CC1c1ccccc1
InChIInChI=1S/C18H28N2O/c1-15(14-21-2)20-12-17-10-6-7-11-19(17)13-18(20)16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3
InChIKeyZSMOERMKGZRZOZ-UHFFFAOYSA-N
XLogP2.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79916856) is 2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is COCC(C)N1CC2CCCCN2CC1c1ccccc1.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is ZSMOERMKGZRZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(14-21-2)20-12-17-10-6-7-11-19(17)13-18(20)16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3.
What are the key properties of 2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 288.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79916856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).