Home Carboxys 1-[(tert-Butyl)oxycarbonyl]-3-[4-(trifluoromethyl)benzyl]piperidine-3-carboxylic acid

1-[(tert-Butyl)oxycarbonyl]-3-[4-(trifluoromethyl)benzyl]piperidine-3-carboxylic acid

CAS No.:
887344-24-3
Catalog Number:
AG0044ZE
Molecular Formula:
C19H24F3NO4
Molecular Weight:
387.3934
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 97% (HPLC)
1 week
United States
$111
- +
250mg
≥ 97% (HPLC)
1 week
United States
$177
- +
1g
≥ 97% (HPLC)
1 week
United States
$389
- +
5g
≥ 97% (HPLC)
1 week
United States
$1456
- +
Product Description
Catalog Number:
AG0044ZE
Chemical Name:
1-[(tert-Butyl)oxycarbonyl]-3-[4-(trifluoromethyl)benzyl]piperidine-3-carboxylic acid
CAS Number:
887344-24-3
Molecular Formula:
C19H24F3NO4
Molecular Weight:
387.3934
MDL Number:
MFCD03840051
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C19H24F3NO4/c1-17(2,3)27-16(26)23-10-4-9-18(12-23,15(24)25)11-13-5-7-14(8-6-13)19(20,21)22/h5-8H,4,9-12H2,1-3H3,(H,24,25)
InChI Key:
NHVRTFVRWPMHRT-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)(Cc1ccc(cc1)C(F)(F)F)C(=O)O)OC(C)(C)C
Properties
Complexity:
550  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.166g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
387.399g/mol
Monoisotopic Mass:
387.166g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties