3-(4-tert-Butylbenzyl)piperidine - CAS 136421-92-6

Catalog:	BB008358
Product Name:	3-(4-tert-Butylbenzyl)piperidine
CAS:	136421-92-6
Synonyms:	3-[(4-tert-butylphenyl)methyl]piperidine; 3-[(4-tert-butylphenyl)methyl]piperidine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-[(4-tert-butylphenyl)methyl]piperidine
Description:	3-(4-tert-Butylbenzyl)piperidine (CAS# 136421-92-6 ) is a useful research chemical.
Molecular Weight:	231.38
Molecular Formula:	C16H25N
Canonical SMILES:	CC(C)(C)C1=CC=C(C=C1)CC2CCCNC2
InChI:	InChI=1S/C16H25N/c1-16(2,3)15-8-6-13(7-9-15)11-14-5-4-10-17-12-14/h6-9,14,17H,4-5,10-12H2,1-3H3
InChI Key:	HVCNKQVGHFUOAP-UHFFFAOYSA-N
LogP:	3.85500

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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3-Bromo-1-methylpiperidine Hydrobromide
[1220027-22-4]
4-Methyl-1-(2-Pyrrolidinylmethyl)Piperidine Dihydrochloride
[362489-61-0]
(3S,4R)-1-tert-Butyl 3-methyl 4-aminopiperidine-1,3-dicarboxylate
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1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid
[2091301-46-9]
Tert-butyl 5-hydroxy-3,3-dimethylpiperidine-1-carboxylate

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.198699802
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	231.198699802
Rotatable Bond Count:	3
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2