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Home Carbonyls 4-(1-(tert-butoxycarbonyl)piperidin-4-yloxy)benzoic acid

4-(1-(tert-butoxycarbonyl)piperidin-4-yloxy)benzoic acid

CAS No.:
162046-56-2
Catalog Number:
AG001SO4
Molecular Formula:
C17H23NO5
Molecular Weight:
321.3682
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$450
- +
Product Description
Catalog Number:
AG001SO4
Chemical Name:
4-(1-(tert-butoxycarbonyl)piperidin-4-yloxy)benzoic acid
CAS Number:
162046-56-2
Molecular Formula:
C17H23NO5
Molecular Weight:
321.3682
MDL Number:
MFCD06658985
IUPAC Name:
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
InChI:
InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-10-8-14(9-11-18)22-13-6-4-12(5-7-13)15(19)20/h4-7,14H,8-11H2,1-3H3,(H,19,20)
InChI Key:
LUVXDMFUUZGFST-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)O)OC(C)(C)C
Properties
Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.158g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
321.373g/mol
Monoisotopic Mass:
321.158g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis and evaluation of 2'-substituted 4-(4'-carboxy- or 4'-carboxymethylbenzylidene)-N-acylpiperidines: highly potent and in vivo active steroid 5alpha-reductase type 2 inhibitors. Journal of medicinal chemistry 20020801
Properties