(6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C25H34N2O2 — CID 58928373

IUPAC(6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCOc1ccc(CN2CCN3[C@@H](CCC[C@@H]3c3ccc(OC)c(C)c3C)C2)cc1
InChIInChI=1S/C25H34N2O2/c1-18-19(2)25(29-4)13-12-23(18)24-7-5-6-21-17-26(14-15-27(21)24)16-20-8-10-22(28-3)11-9-20/h8-13,21,24H,5-7,14-17H2,1-4H3/t21-,24+/m0/s1
InChIKeyVEZPXKVDRNRSSC-XUZZJYLKSA-N
MW394.56 g/mol
LogP4.73
Rot. Bonds5

About (6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

(6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 58928373) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is (6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name(6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID58928373
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name(6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCOc1ccc(CN2CCN3[C@@H](CCC[C@@H]3c3ccc(OC)c(C)c3C)C2)cc1
InChIInChI=1S/C25H34N2O2/c1-18-19(2)25(29-4)13-12-23(18)24-7-5-6-21-17-26(14-15-27(21)24)16-20-8-10-22(28-3)11-9-20/h8-13,21,24H,5-7,14-17H2,1-4H3/t21-,24+/m0/s1
InChIKeyVEZPXKVDRNRSSC-XUZZJYLKSA-N
XLogP4.73
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of (6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 58928373) is (6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for (6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for (6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is COc1ccc(CN2CCN3[C@@H](CCC[C@@H]3c3ccc(OC)c(C)c3C)C2)cc1.
What is the InChIKey of (6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is VEZPXKVDRNRSSC-XUZZJYLKSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-18-19(2)25(29-4)13-12-23(18)24-7-5-6-21-17-26(14-15-27(21)24)16-20-8-10-22(28-3)11-9-20/h8-13,21,24H,5-7,14-17H2,1-4H3/t21-,24+/m0/s1.
What are the key properties of (6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
(6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 394.56 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 58928373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).