1-(3,3-Diphenylpropionyl)piperazine Hydrochloride - CAS 856841-75-3

Catalog:	BB066695
Product Name:	1-(3,3-Diphenylpropionyl)piperazine Hydrochloride
CAS:	856841-75-3
Synonyms:	3,3-Diphenyl-1-(1-piperazinyl)-1-propanone Hydrochloride; N-(3,3-Diphenylpropionyl)piperazine Hydrochloride

Technical Data

IUPAC Name:	3,3-diphenyl-1-piperazin-1-ylpropan-1-onehydrochloride
Description:	1-(3,3-Diphenylpropionyl)piperazine is an unsymmetrically N-substituted piperazine used in the preparation of (pyridylcyanomethyl)piperazines as orally active PAF antagonists.
Molecular Weight:	330.85
Molecular Formula:	C19H23ClN2O
Canonical SMILES:	C1CN(CCN1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3.Cl
InChI:	InChI=1S/C19H22N2O.ClH/c22-19(21-13-11-20-12-14-21)15-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20H,11-15H21H
InChI Key:	GPGWZDJMTKGFCZ-UHFFFAOYSA-N
References:	Lave, D., et al. Drugs Future, 14, 891 (1989), Page, C.P., et al. Drugs News Perspect., 3, 389 (1990),.

Complexity:	321
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	330.1498911
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	330.1498911
Rotatable Bond Count:	4
Topological Polar Surface Area:	32.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0