| CAS Number | 1345728-58-6 |
| Catalog Number | AG00HTCF(AGN-PC-0WG449) |
| Chemical Name | tert-Butyl ((1-benzyl-4-methylpiperidin-4-yl)methyl)carbamate |
| IUPAC Name | tert-butyl N-[(1-benzyl-4-methylpiperidin-4-yl)methyl]carbamate |
| InChI | InChI=1S/C19H30N2O2/c1-18(2,3)23-17(22)20-15-19(4)10-12-21(13-11-19)14-16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3,(H,20,22) |
| InChI Key | BOZLRFYXXQKMDG-UHFFFAOYSA-N |
| MDL Number | MFCD28965137 |
| Molecular Formula | C19H30N2O2 |
| Molecular Weight | 318.4537 |
| SMILES | CC1(CCN(CC1)Cc2ccccc2)CNC(=O)OC(C)(C)C |
| Synonyms | 1345728-58-6,
tert-Butyl ((1-benzyl-4-methylpiperidin-4-yl)methyl)carbamate,
tert-butyl [(1-benzyl-4-methylpiperidin-4-yl)methyl]carbamate,
SCHEMBL14728238,
BOZLRFYXXQKMDG-UHFFFAOYSA-N,
MFCD28965137,
ZINC205919220,
DA-45888,
CS-0037132,
FT-0756191,
t-Butyl ((1-benzyl-4-methylpiperidin-4-yl)methyl)carbamate,
tert-butyl[(1-benzyl-4-methylpiperidin-4-yl)methyl]carbamate,
tert-butyl N-[(1-benzyl-4-methylpiperidin-4-yl)methyl]carbamate,
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| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.231g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.461g/mol |
| Monoisotopic Mass | 318.231g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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