3-[4-(Trifluoromethyl)benzyl]piperidine - CAS 794464-39-4

Catalog:	BB036346
Product Name:	3-[4-(Trifluoromethyl)benzyl]piperidine
CAS:	794464-39-4
Synonyms:	3-[[4-(trifluoromethyl)phenyl]methyl]piperidine; 3-[[4-(trifluoromethyl)phenyl]methyl]piperidine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-[[4-(trifluoromethyl)phenyl]methyl]piperidine
Description:	3-[4-(Trifluoromethyl)benzyl]piperidine (CAS# 794464-39-4 ) is a useful research chemical.
Molecular Weight:	243.27
Molecular Formula:	C13H16F3N
Canonical SMILES:	C1CC(CNC1)CC2=CC=C(C=C2)C(F)(F)F
InChI:	InChI=1S/C13H16F3N/c14-13(15,16)12-5-3-10(4-6-12)8-11-2-1-7-17-9-11/h3-6,11,17H,1-2,7-9H2
InChI Key:	UERYHSFWMVCBIC-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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Related Functional Groups

Piperidines

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[313685-03-9]
Ethyl 1-[(4-chlorophenyl)sulfonyl]piperidine-4-carboxylate
[1185108-00-2]
Ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate hydrochloride
[349624-53-9]
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[330978-94-4]
Ethyl 1-[(4-nitrophenyl)sulfonyl]piperidine-4-carboxylate

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.123484
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	243.123484
Rotatable Bond Count:	2
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4