| CAS Number | 1068522-21-3 |
| Catalog Number | AG00HAVQ(AGN-PC-0WG4UD) |
| Chemical Name | cis-1-(tert-Butoxycarbonyl)-3-phenylpiperidine-4-carboxylic acid |
| IUPAC Name | (3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperidine-4-carboxylic acid |
| InChI | InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-9-13(15(19)20)14(11-18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)/t13-,14-/m0/s1 |
| InChI Key | KHCTXOGRWQLHBK-KBPBESRZSA-N |
| MDL Number | MFCD22209593 |
| Molecular Formula | C17H23NO4 |
| Molecular Weight | 305.3688 |
| SMILES | CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C1)c2ccccc2)C(=O)O |
| Synonyms | 1068522-21-3,
cis-1-(tert-Butoxycarbonyl)-3-phenylpiperidine-4-carboxylic acid,
SCHEMBL3193293,
MFCD22209593,
ZINC35571173,
cis-1-(t-Butoxycarbonyl)-3-phenylpiperidine-4-carboxylic acid,
|
| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.374g/mol |
| Monoisotopic Mass | 305.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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