| CAS Number | 1160247-66-4 |
| Catalog Number | AG00HD8J(AGN-PC-0WG4IQ) |
| Chemical Name | tert-Butyl 7-methoxy-3,4-dihydro-2H-spiro[isoquinoline-1,4'-piperidine]-1'-carboxylate |
| IUPAC Name | tert-butyl 7-methoxyspiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C19H28N2O3/c1-18(2,3)24-17(22)21-11-8-19(9-12-21)16-13-15(23-4)6-5-14(16)7-10-20-19/h5-6,13,20H,7-12H2,1-4H3 |
| InChI Key | HJLCTDLZMPZHQU-UHFFFAOYSA-N |
| MDL Number | MFCD12198630 |
| Molecular Formula | C19H28N2O3 |
| Molecular Weight | 332.4372 |
| SMILES | COc1ccc2CCNC3(CCN(CC3)C(=O)OC(C)(C)C)c2c1 |
| Synonyms | 1160247-66-4,
tert-Butyl 7-methoxy-3,4-dihydro-2H-spiro[isoquinoline-1,4'-piperidine]-1'-carboxylate,
Tert-Butyl 7-Methoxy-3,4-Dihydro-2H-Spiro[Isoquinoline-1,4-Piperidine]-1-Carboxylate,
ZINC91302865,
AM804846,
AS-74039,
CS-0036066,
tert-Butyl7-methoxy-3,4-dihydro-2H-spiro[isoquinoline-1,4'-piperidine]-1'-carboxylate,
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| Complexity | 452 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.209993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.4g/mol |
| Monoisotopic Mass | 332.209993g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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