4-(N-Phenylamino)-4-carboxypiperidine - CAS 772283-93-9
Catalog: |
BB058234 |
Product Name: |
4-(N-Phenylamino)-4-carboxypiperidine |
CAS: |
772283-93-9 |
Synonyms: |
4-(Phenylamino)-4-piperidinecarboxylic Acid |
IUPAC Name: | 4-anilinopiperidine-4-carboxylic acid |
Description: | 4-(N-Phenylamino)-4-carboxypiperidine is an intermediate in the synthesis of Remifentanil Ester Hydrochloride (R143515), a controlled substance, an Opioid. Remifentanil Esters are used as intermediates in the synthesis of isothiocyanate derivatives of carfentanils and (methoxymethyl)fentanyls which are opioid δ receptor irreversible inhibitors. |
Molecular Weight: | 220.27 |
Molecular Formula: | C12H16N2O2 |
Canonical SMILES: | C1CNCCC1(C(=O)O)NC2=CC=CC=C2 |
InChI: | InChI=1S/C12H16N2O2/c15-11(16)12(6-8-13-9-7-12)14-10-4-2-1-3-5-10/h1-5,13-14H,6-9H2,(H,15,16) |
InChI Key: | QIJFNINHULHMLY-UHFFFAOYSA-N |
References: | Wang, Z., et al. Chin. Chem. Lett., 6, 763 (1995). |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.121177757 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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