α-Phenyl-2-piperidineacetonitrile - CAS 500780-11-0

Catalog:	BB058203
Product Name:	α-Phenyl-2-piperidineacetonitrile
CAS:	500780-11-0
Synonyms:	Phenyl(piperidin-2-yl)acetonitrile; 2-phenyl-2-piperidin-2-ylacetonitrile; 2-PHENYL-2-(PIPERIDIN-2-YL)ACETONITRILE; alpha-Phenyl-2-piperidineacetonitrile

Technical Data

IUPAC Name:	2-phenyl-2-piperidin-2-ylacetonitrile
Description:	α-Phenyl-2-piperidineacetonitrile is one of the α-aryl nitriles used as precursor for the synthesis of Verapamil, Indoprofen, Cicloprofen and Naproxen.
Molecular Weight:	200.28
Molecular Formula:	C13H16N2
Canonical SMILES:	C1CCNC(C1)C(C#N)C2=CC=CC=C2
InChI:	InChI=1S/C13H16N2/c14-10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-3,6-7,12-13,15H,4-5,8-9H2
InChI Key:	YDGDHTYZTPBCLZ-UHFFFAOYSA-N
References:	Kerdesky, F.A., et al. J. Med. Chem., 34, 2158 (1991),.

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.131348519
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.131348519
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.8Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1