cis-3-Methyl-4-(phenylamino)-4-piperidinecarboxylic Acid Methyl Ester - CAS 147292-35-1
Catalog: |
BB059515 |
Product Name: |
cis-3-Methyl-4-(phenylamino)-4-piperidinecarboxylic Acid Methyl Ester |
CAS: |
147292-35-1 |
Synonyms: |
cis-3-Methyl-4-(phenylamino)-4-piperidinecarboxylic Acid Methyl Ester; methyl (3S,4S)-4-anilino-3-methylpiperidine-4-carboxylate |
IUPAC Name: | methyl (3S,4S)-4-anilino-3-methylpiperidine-4-carboxylate |
Description: | Intermediate in the preparation of fentanyl and its analogs. |
Molecular Weight: | 248.32 |
Molecular Formula: | C14H20N2O2 |
Canonical SMILES: | CC1CNCCC1(C(=O)OC)NC2=CC=CC=C2 |
InChI: | InChI=1S/C14H20N2O2/c1-11-10-15-9-8-14(11,13(17)18-2)16-12-6-4-3-5-7-12/h3-7,11,15-16H,8-10H2,1-2H3/t11-,14-/m0/s1 |
InChI Key: | PPYCOHQKAGCQAR-FZMZJTMJSA-N |
Solubility: | Methanol |
Appearance: | Yellow Gel to Solid |
Storage: | Refrigerator |
References: | Brine, G. A. et al.; J. Heterocyclic Chem. 31, 513 (1994). |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.152477885 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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