1,1-Diphenyl-3-piperidinopropanol Methanesulfonate - CAS 53639-82-0

Catalog:	BB068348
Product Name:	1,1-Diphenyl-3-piperidinopropanol Methanesulfonate
CAS:	53639-82-0
Synonyms:	1,1-Diphenyl-3-(piperidin-1-yl)propyl Methanesulfonate; α,α-Diphenyl-1-piperidinepropanol Methanesulfonate

Technical Data

IUPAC Name:	(1,1-diphenyl-3-piperidin-1-ylpropyl) methanesulfonate
Description:	1,1-Diphenyl-3-piperidinopropanol Methanesulfonate is used in the preparation of drugs and argrochemicals.
Molecular Weight:	373.51
Molecular Formula:	C21H27NO3S
Canonical SMILES:	CS(=O)(=O)OC(CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI:	InChI=1S/C21H27NO3S/c1-26(23,24)25-21(19-11-5-2-6-12-19,20-13-7-3-8-14-20)15-18-22-16-9-4-10-17-22/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3
InChI Key:	CNGZDVMAVFKQNH-UHFFFAOYSA-N
References:	Okada, Masayuki. et al.,Jpn. Kokai Tokkyo Koho. 4pp. (1988).

Complexity:	492
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	373.1711649
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	373.1711649
Rotatable Bond Count:	7
Topological Polar Surface Area:	55Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9