| CAS Number | 1369354-81-3 |
| Catalog Number | AG00HUQP(AGN-PC-0WR2JV) |
| Chemical Name | 2-Benzyl-octahydro-pyrido[1,2-a]pyrazin-8-one |
| IUPAC Name | 2-benzyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one |
| InChI | InChI=1S/C15H20N2O/c18-15-6-7-17-9-8-16(12-14(17)10-15)11-13-4-2-1-3-5-13/h1-5,14H,6-12H2 |
| InChI Key | MQQKAICVAFVKDM-UHFFFAOYSA-N |
| MDL Number | MFCD22034052 |
| Molecular Formula | C15H20N2O |
| Molecular Weight | 244.3321 |
| SMILES | O=C1CCN2CCN(CC3=CC=CC=C3)CC2C1 |
| Synonyms | 2-Benzyl-octahydro-pyrido[1,2-a]pyrazin-8-one,
1369354-81-3,
SCHEMBL20523462,
MFCD22034052,
AS-40208,
2-Benzylhexahydro-1H-pyrido[1,2-a]pyrazin-8(2H)-one,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.338g/mol |
| Monoisotopic Mass | 244.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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