| CAS Number | 1071866-01-7 |
| Catalog Number | AG00HAXW(AGN-PC-0WD8EU) |
| Chemical Name | tert-Butyl (4-phenylpiperidin-4-yl)methylcarbamate |
| IUPAC Name | tert-butyl N-[(4-phenylpiperidin-4-yl)methyl]carbamate |
| InChI | InChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)19-13-17(9-11-18-12-10-17)14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3,(H,19,20) |
| InChI Key | ZCLBJFOUCSBWAR-UHFFFAOYSA-N |
| MDL Number | MFCD09753905 |
| Molecular Formula | C17H26N2O2 |
| Molecular Weight | 290.4005 |
| SMILES | C1(=CC=CC=C1)C1(CCNCC1)CNC(OC(C)(C)C)=O |
| Synonyms | 1071866-01-7,
(4-PHENYL-PIPERIDIN-4-YLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTER,
tert-Butyl (4-phenylpiperidin-4-yl)methylcarbamate,
tert-Butyl ((4-phenylpiperidin-4-yl)methyl)carbamate,
tert-butylN-[(4-phenylpiperidin-4-yl)methyl]carbamate,
tert-Butyl [(4-phenylpiperidin-4-yl)methyl]carbamate,
SCHEMBL3595473,
DTXSID70678119,
ZCLBJFOUCSBWAR-UHFFFAOYSA-N,
MFCD09753905,
ZINC43214555,
AKOS030238267,
AS-39560,
CS-0038191,
tert-butyl N-[(4-phenylpiperidin-4-yl)methyl]carbamate,
(4-phenylpiperidin-4-ylmethyl) carbamic acid tert-butyl ester,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.407g/mol |
| Monoisotopic Mass | 290.199g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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