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

Technical Data

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:	61.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9