3-[3-(Trifluoromethoxy)benzyl]piperidine - CAS 1158747-13-7

Catalog:	BB003643
Product Name:	3-[3-(Trifluoromethoxy)benzyl]piperidine
CAS:	1158747-13-7
Synonyms:	3-[[3-(trifluoromethoxy)phenyl]methyl]piperidine; 3-[[3-(trifluoromethoxy)phenyl]methyl]piperidine

Technical Data

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Computed Properties

IUPAC Name:	3-[[3-(trifluoromethoxy)phenyl]methyl]piperidine
Description:	3-[3-(Trifluoromethoxy)benzyl]piperidine (CAS# 1158747-13-7 ) is a useful research chemical.
Molecular Weight:	259.27
Molecular Formula:	C13H16F3NO
Canonical SMILES:	C1CC(CNC1)CC2=CC(=CC=C2)OC(F)(F)F
InChI:	InChI=1S/C13H16F3NO/c14-13(15,16)18-12-5-1-3-10(8-12)7-11-4-2-6-17-9-11/h1,3,5,8,11,17H,2,4,6-7,9H2
InChI Key:	KVQPXYQZDDBLRP-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-1678185-A1	2,3-dihydro-6-nitroimidazo [2,1-b] oxazole compounds for the treatment of tuberculosis	20031031
EP-1678185-B1	2,3-dihydro-6-nitroimidazo [2,1-b] oxazole compounds for the treatment of tuberculosis	20031031
US-2008119478-A1	2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis	20031031
US-8163753-B2	2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis	20031031
WO-2005042542-A1	2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis	20031031

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Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.11839862
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	259.11839862
Rotatable Bond Count:	3
Topological Polar Surface Area:	21.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7